N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide

C24H33F3N4O4 — CID 72694525

IUPACN-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)C(=O)C(F)(F)F
InChIInChI=1S/C24H33F3N4O4/c1-14(2)11-19(32)30-18(12-15-7-4-3-5-8-15)23(35)31-17(20(28)21(33)24(25,26)27)13-16-9-6-10-29-22(16)34/h3-5,7-8,14,16-18,20H,6,9-13,28H2,1-2H3,(H,29,34)(H,30,32)(H,31,35)/t16-,17-,18-,20?/m0/s1
InChIKeyXJBSHWHBLHEPLC-JHDIOSIKSA-N
MW498.55 g/mol
LogP1.62
Rot. Bonds11

About N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide

N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide (PubChem CID 72694525) has the molecular formula C24H33F3N4O4 and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
PubChem CID72694525
Molecular FormulaC24H33F3N4O4
Molecular Weight498.55 g/mol
Exact Mass498.25
IUPAC NameN-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)C(=O)C(F)(F)F
InChIInChI=1S/C24H33F3N4O4/c1-14(2)11-19(32)30-18(12-15-7-4-3-5-8-15)23(35)31-17(20(28)21(33)24(25,26)27)13-16-9-6-10-29-22(16)34/h3-5,7-8,14,16-18,20H,6,9-13,28H2,1-2H3,(H,29,34)(H,30,32)(H,31,35)/t16-,17-,18-,20?/m0/s1
InChIKeyXJBSHWHBLHEPLC-JHDIOSIKSA-N
XLogP1.62
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[(2S)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]-4-[(3S)-2-oxopiperidin-3-yl]-2-sulfanylbutanoate
CID 72694325
[(2R)-1-cyano-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propyl] acetate
CID 72695739
ethyl (3S,4S)-4-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]-3-sulfanylpentanoate
CID 165416253
N-[(2S)-1-[[(2R)-1-cyano-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]benzamide
CID 72695836
(3S)-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]-3-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]-N-propan-2-ylbutanamide
CID 127031378
ethyl (E,4S)-4-[[(2S)-2-(oxaldehydoylamino)-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopiperidin-3-yl]pent-2-enoate
CID 155531554
methyl (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 155736248
N-[3-(4-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]propan-2-yl]benzamide
CID 72700176
(3S)-3,5,5-trimethyl-N-[(2R)-1-oxo-1-[[(3R)-2-oxoazepan-3-yl]amino]-3-phenylpropan-2-yl]hexanamide
CID 7362282
(2S)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-3-phenylpropanamide
CID 72700618
(2S)-2-[[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-phenylbutan-2-yl]-4-methylpentanamide
CID 169122626
[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 155369588

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide (CID 72694525) is N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide?
The InChIKey is XJBSHWHBLHEPLC-JHDIOSIKSA-N. The full InChI is InChI=1S/C24H33F3N4O4/c1-14(2)11-19(32)30-18(12-15-7-4-3-5-8-15)23(35)31-17(20(28)21(33)24(25,26)27)13-16-9-6-10-29-22(16)34/h3-5,7-8,14,16-18,20H,6,9-13,28H2,1-2H3,(H,29,34)(H,30,32)(H,31,35)/t16-,17-,18-,20?/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide?
N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide has a molecular weight of 498.55 g/mol, XLogP of 1.62, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-3-amino-5,5,5-trifluoro-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 72694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).