(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid

C14H19NO4 — CID 67038648

IUPAC(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
SMILESCCC(C(=O)N[C@@H](CCO)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-11(10-6-4-3-5-7-10)13(17)15-12(8-9-16)14(18)19/h3-7,11-12,16H,2,8-9H2,1H3,(H,15,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyFQCZPRXOISDYHZ-KIYNQFGBSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds7

About (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid

(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid (PubChem CID 67038648) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
PubChem CID67038648
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
SMILESCCC(C(=O)N[C@@H](CCO)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-11(10-6-4-3-5-7-10)13(17)15-12(8-9-16)14(18)19/h3-7,11-12,16H,2,8-9H2,1H3,(H,15,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyFQCZPRXOISDYHZ-KIYNQFGBSA-N
XLogP1.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750
(2S)-4-methoxy-4-oxo-2-(2-phenylbutanoylamino)butanoic acid
CID 63307236
(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
CID 107825156
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-phenylbutanamide
CID 61120695
(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
CID 106356833
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid (CID 67038648) is (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid is CCC(C(=O)N[C@@H](CCO)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid?
The InChIKey is FQCZPRXOISDYHZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-11(10-6-4-3-5-7-10)13(17)15-12(8-9-16)14(18)19/h3-7,11-12,16H,2,8-9H2,1H3,(H,15,17)(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid?
(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid is sourced from PubChem (CID 67038648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).