(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid

C14H18N2O5 — CID 11380838

IUPAC(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1
InChIKeyYGOHRHZYOUUOMN-ONGXEEELSA-N
MW294.31 g/mol
LogP0.04
Rot. Bonds7

About (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid (PubChem CID 11380838) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid
PubChem CID11380838
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1
InChIKeyYGOHRHZYOUUOMN-ONGXEEELSA-N
XLogP0.04
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid (CID 11380838) is (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](N)CC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid?
The InChIKey is YGOHRHZYOUUOMN-ONGXEEELSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(14(19)20)16-13(18)11(15)7-12(17)21-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t9-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-4-oxo-4-phenylmethoxybutanoyl]amino]propanoic acid is sourced from PubChem (CID 11380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).