(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide

C27H31N3O3 — CID 86755915

IUPAC(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
SMILESNCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H31N3O3/c28-18-10-17-23(26(32)30-24(19-31)20-11-4-1-5-12-20)29-27(33)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,31H,10,17-19,28H2,(H,29,33)(H,30,32)/t23-,24-/m0/s1
InChIKeyISNZAXUAQQZMNY-ZEQRLZLVSA-N
MW445.56 g/mol
LogP2.89
Rot. Bonds11

About (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide

(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide (PubChem CID 86755915) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
PubChem CID86755915
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
SMILESNCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H31N3O3/c28-18-10-17-23(26(32)30-24(19-31)20-11-4-1-5-12-20)29-27(33)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,31H,10,17-19,28H2,(H,29,33)(H,30,32)/t23-,24-/m0/s1
InChIKeyISNZAXUAQQZMNY-ZEQRLZLVSA-N
XLogP2.89
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-(4-phenoxyphenyl)ethyl]pentanamide
CID 139896079
(2R)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide;hydrochloride
CID 142645953
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
CID 175911269
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
(4-amino-1-phenylbutyl)carbamic acid
CID 121416370
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The IUPAC name of (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide (CID 86755915) is (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide.
What is the SMILES notation for (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The canonical SMILES for (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide is NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The InChIKey is ISNZAXUAQQZMNY-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H31N3O3/c28-18-10-17-23(26(32)30-24(19-31)20-11-4-1-5-12-20)29-27(33)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,31H,10,17-19,28H2,(H,29,33)(H,30,32)/t23-,24-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide has a molecular weight of 445.56 g/mol, XLogP of 2.89, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide is sourced from PubChem (CID 86755915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).