(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

C22H23N5O5 — CID 140734030

IUPAC(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@@H](C1CC1)C(C(N)=O)N1C(=O)NC2(CCc3cc(-n4ccc(=O)[nH]c4=O)ccc32)C1=O
InChIInChI=1S/C22H23N5O5/c1-11(12-2-3-12)17(18(23)29)27-19(30)22(25-21(27)32)8-6-13-10-14(4-5-15(13)22)26-9-7-16(28)24-20(26)31/h4-5,7,9-12,17H,2-3,6,8H2,1H3,(H2,23,29)(H,25,32)(H,24,28,31)/t11-,17?,22?/m0/s1
InChIKeyMHTXAOMXVXEZBU-PSMMNLEQSA-N
MW437.46 g/mol
LogP0.12
Rot. Bonds5

About (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide

(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (PubChem CID 140734030) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
PubChem CID140734030
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
SMILESC[C@@H](C1CC1)C(C(N)=O)N1C(=O)NC2(CCc3cc(-n4ccc(=O)[nH]c4=O)ccc32)C1=O
InChIInChI=1S/C22H23N5O5/c1-11(12-2-3-12)17(18(23)29)27-19(30)22(25-21(27)32)8-6-13-10-14(4-5-15(13)22)26-9-7-16(28)24-20(26)31/h4-5,7,9-12,17H,2-3,6,8H2,1H3,(H2,23,29)(H,25,32)(H,24,28,31)/t11-,17?,22?/m0/s1
InChIKeyMHTXAOMXVXEZBU-PSMMNLEQSA-N
XLogP0.12
TPSA147.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-cyclobutyl-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734053
(3S)-3-cyclobutyl-2-[(1S)-1-hydroxy-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140733985
(3S)-3-cyclopropyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide
CID 140734054
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
CID 170350288
(3S)-2-(7-acetamido-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-3-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 118958345
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide
CID 145048809
2-(6-bromo-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-cyclopropylethyl)-N-(furan-2-ylmethyl)acetamide
CID 118957254
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-3-(3-methylphenyl)propanamide
CID 118957698
2-[(4S)-7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2420958
N-[(1S)-1-cyclobutylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-3-(1-methyltriazol-4-yl)propanamide
CID 118958707
3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4878980

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The IUPAC name of (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide (CID 140734030) is (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The canonical SMILES for (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is C[C@@H](C1CC1)C(C(N)=O)N1C(=O)NC2(CCc3cc(-n4ccc(=O)[nH]c4=O)ccc32)C1=O.
What is the InChIKey of (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
The InChIKey is MHTXAOMXVXEZBU-PSMMNLEQSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-11(12-2-3-12)17(18(23)29)27-19(30)22(25-21(27)32)8-6-13-10-14(4-5-15(13)22)26-9-7-16(28)24-20(26)31/h4-5,7,9-12,17H,2-3,6,8H2,1H3,(H2,23,29)(H,25,32)(H,24,28,31)/t11-,17?,22?/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide?
(3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide has a molecular weight of 437.46 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-2-[6-(2,4-dioxopyrimidin-1-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]butanamide is sourced from PubChem (CID 140734030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).