(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide

C15H23N3O2 — CID 61180741

IUPAC(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-9-17-14(19)11(2)18-15(20)13(16)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,17,19)(H,18,20)/t11?,13-/m0/s1
InChIKeyVQYJGVQWBUBOKO-YUZLPWPTSA-N
MW277.37 g/mol
LogP0.59
Rot. Bonds7

About (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide (PubChem CID 61180741) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
PubChem CID61180741
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-3-9-17-14(19)11(2)18-15(20)13(16)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,17,19)(H,18,20)/t11?,13-/m0/s1
InChIKeyVQYJGVQWBUBOKO-YUZLPWPTSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
CID 15086435
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide (CID 61180741) is (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide is CCCNC(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide?
The InChIKey is VQYJGVQWBUBOKO-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-17-14(19)11(2)18-15(20)13(16)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3,(H,17,19)(H,18,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 61180741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).