(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide

C30H33FN4O5 — CID 118958317

IUPAC(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)[C@H](N)C4CC4)ccc32)C1=O
InChIInChI=1S/C30H33FN4O5/c1-17(19-4-5-19)34(15-18-2-8-22(31)9-3-18)25(36)16-35-28(38)30(40-29(35)39)13-12-21-14-23(10-11-24(21)30)33-27(37)26(32)20-6-7-20/h2-3,8-11,14,17,19-20,26H,4-7,12-13,15-16,32H2,1H3,(H,33,37)/t17-,26+,30?/m0/s1
InChIKeyDAEOQGNBLVGYGM-JTOSRSDGSA-N
MW548.62 g/mol
LogP3.45
Rot. Bonds9

About (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide

(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide (PubChem CID 118958317) has the molecular formula C30H33FN4O5 and a molecular weight of 548.62 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
PubChem CID118958317
Molecular FormulaC30H33FN4O5
Molecular Weight548.62 g/mol
Exact Mass548.24
IUPAC Name(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)[C@H](N)C4CC4)ccc32)C1=O
InChIInChI=1S/C30H33FN4O5/c1-17(19-4-5-19)34(15-18-2-8-22(31)9-3-18)25(36)16-35-28(38)30(40-29(35)39)13-12-21-14-23(10-11-24(21)30)33-27(37)26(32)20-6-7-20/h2-3,8-11,14,17,19-20,26H,4-7,12-13,15-16,32H2,1H3,(H,33,37)/t17-,26+,30?/m0/s1
InChIKeyDAEOQGNBLVGYGM-JTOSRSDGSA-N
XLogP3.45
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide with MolForge

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Related Compounds

(2R)-2-amino-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]propanamide
CID 118958233
2-amino-2-cyclopropyl-N-[3-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 135205892
2-cyano-N-[3-[2-[1-cyclopropylethyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide
CID 134327296
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957280
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 134327492
2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 118957683
2-[6-[(3-aminocyclohexyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 122460098
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957994
[1-[[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 118958397
N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
CID 118957606
N-[(5R)-3-[2-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
CID 118958204
2-[(3R)-6-acetamido-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide?
The IUPAC name of (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide (CID 118958317) is (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide.
What is the SMILES notation for (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide?
The canonical SMILES for (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide is C[C@@H](C1CC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)[C@H](N)C4CC4)ccc32)C1=O.
What is the InChIKey of (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide?
The InChIKey is DAEOQGNBLVGYGM-JTOSRSDGSA-N. The full InChI is InChI=1S/C30H33FN4O5/c1-17(19-4-5-19)34(15-18-2-8-22(31)9-3-18)25(36)16-35-28(38)30(40-29(35)39)13-12-21-14-23(10-11-24(21)30)33-27(37)26(32)20-6-7-20/h2-3,8-11,14,17,19-20,26H,4-7,12-13,15-16,32H2,1H3,(H,33,37)/t17-,26+,30?/m0/s1.
What are the key properties of (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide?
(2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide has a molecular weight of 548.62 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclopropyl-N-[3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]acetamide is sourced from PubChem (CID 118958317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).