(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid

C17H18N2O3 — CID 169433659

IUPAC(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-14(11-12-7-3-1-4-8-12)16(20)19-15(17(21)22)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22)/t14-,15-/m0/s1
InChIKeyCENDSOALSUIALC-GJZGRUSLSA-N
MW298.34 g/mol
LogP1.50
Rot. Bonds6

About (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid

(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid (PubChem CID 169433659) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
PubChem CID169433659
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-14(11-12-7-3-1-4-8-12)16(20)19-15(17(21)22)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22)/t14-,15-/m0/s1
InChIKeyCENDSOALSUIALC-GJZGRUSLSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetic acid
CID 71819133
(3S)-3-amino-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 139799489
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid (CID 169433659) is (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid is N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid?
The InChIKey is CENDSOALSUIALC-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-14(11-12-7-3-1-4-8-12)16(20)19-15(17(21)22)13-9-5-2-6-10-13/h1-10,14-15H,11,18H2,(H,19,20)(H,21,22)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid?
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid has a molecular weight of 298.34 g/mol, XLogP of 1.50, 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-3-phenylpropanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 169433659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).