(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide

C18H21N3O2 — CID 21116073

IUPAC(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)17(22)21-18(23)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2,(H,21,22,23)/t15-,16-/m0/s1
InChIKeyYNMQTZXZANPRMH-HOTGVXAUSA-N
MW311.38 g/mol
LogP0.77
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide

(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide (PubChem CID 21116073) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
PubChem CID21116073
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)17(22)21-18(23)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2,(H,21,22,23)/t15-,16-/m0/s1
InChIKeyYNMQTZXZANPRMH-HOTGVXAUSA-N
XLogP0.77
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N',3-diphenylpropanehydrazide
CID 11379833
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide (CID 21116073) is (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide?
The InChIKey is YNMQTZXZANPRMH-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)17(22)21-18(23)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2,(H,21,22,23)/t15-,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide is sourced from PubChem (CID 21116073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).