(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid

C15H20N2O5 — CID 73353275

IUPAC(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-2-12(17-14(20)11(16)8-13(18)19)15(21)22-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,20)(H,18,19)/t11-,12+/m0/s1
InChIKeyOGHRPZXARYWUIK-NWDGAFQWSA-N
MW308.33 g/mol
LogP0.43
Rot. Bonds8

About (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid

(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid (PubChem CID 73353275) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid
PubChem CID73353275
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-2-12(17-14(20)11(16)8-13(18)19)15(21)22-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,20)(H,18,19)/t11-,12+/m0/s1
InChIKeyOGHRPZXARYWUIK-NWDGAFQWSA-N
XLogP0.43
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid?
The IUPAC name of (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid (CID 73353275) is (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid.
What is the SMILES notation for (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid?
The canonical SMILES for (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid is CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid?
The InChIKey is OGHRPZXARYWUIK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-2-12(17-14(20)11(16)8-13(18)19)15(21)22-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,20)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid?
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-phenylmethoxybutan-2-yl]amino]butanoic acid is sourced from PubChem (CID 73353275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).