(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid

C14H20N2O4 — CID 107825099

IUPAC(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
SMILESNC(CCc1ccccc1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H20N2O4/c15-11(7-6-10-4-2-1-3-5-10)13(18)16-12(8-9-17)14(19)20/h1-5,11-12,17H,6-9,15H2,(H,16,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyASVVDYZQOLYKSG-PIJUOVFKSA-N
MW280.32 g/mol
LogP-0.10
Rot. Bonds8

About (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825099) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
PubChem CID107825099
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
SMILESNC(CCc1ccccc1)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C14H20N2O4/c15-11(7-6-10-4-2-1-3-5-10)13(18)16-12(8-9-17)14(19)20/h1-5,11-12,17H,6-9,15H2,(H,16,18)(H,19,20)/t11?,12-/m1/s1
InChIKeyASVVDYZQOLYKSG-PIJUOVFKSA-N
XLogP-0.10
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
CID 107825156
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
(2S)-2-amino-N-[(3S)-2-oxo-5-phenyl-1-phenylmethoxypentan-3-yl]-4-phenylbutanamide;hydrochloride
CID 23551238
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid (CID 107825099) is (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid is NC(CCc1ccccc1)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is ASVVDYZQOLYKSG-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-11(7-6-10-4-2-1-3-5-10)13(18)16-12(8-9-17)14(19)20/h1-5,11-12,17H,6-9,15H2,(H,16,18)(H,19,20)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 280.32 g/mol, XLogP of -0.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).