(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide

C17H25N3O2 — CID 11067759

IUPAC(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15(13-9-5-2-6-10-13)17(22)20-14(16(19)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11,18H2,(H2,19,21)(H,20,22)/t14-,15-/m0/s1
InChIKeyJSSNSVUKLPHEPZ-GJZGRUSLSA-N
MW303.41 g/mol
LogP1.11
Rot. Bonds6

About (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide

(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide (PubChem CID 11067759) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
PubChem CID11067759
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-15(13-9-5-2-6-10-13)17(22)20-14(16(19)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11,18H2,(H2,19,21)(H,20,22)/t14-,15-/m0/s1
InChIKeyJSSNSVUKLPHEPZ-GJZGRUSLSA-N
XLogP1.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
benzyl (2S)-2-[[(2R)-2-amino-2-cyclopentylacetyl]amino]-4-methylpentanoate
CID 10665277
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-(3-hydroxyphenyl)propanoate;hydrochloride
CID 11639299
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(3S)-3-amino-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-benzyl-4-oxobutanoic acid
CID 67911828
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide (CID 11067759) is (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C1CCCCC1.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide?
The InChIKey is JSSNSVUKLPHEPZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-15(13-9-5-2-6-10-13)17(22)20-14(16(19)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11,18H2,(H2,19,21)(H,20,22)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide?
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 11067759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).