(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid

C13H18N2O4 — CID 104984630

IUPAC(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-10(7-6-9-4-2-1-3-5-9)12(17)15-11(8-16)13(18)19/h1-5,10-11,16H,6-8,14H2,(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyLSYTWAIWHLJUNF-WDEREUQCSA-N
MW266.30 g/mol
LogP-0.49
Rot. Bonds7

About (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid (PubChem CID 104984630) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
PubChem CID104984630
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C13H18N2O4/c14-10(7-6-9-4-2-1-3-5-9)12(17)15-11(8-16)13(18)19/h1-5,10-11,16H,6-8,14H2,(H,15,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyLSYTWAIWHLJUNF-WDEREUQCSA-N
XLogP-0.49
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 145456751
2-[[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18482090
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 145457198
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
4-amino-5-[[4-carboxy-1-[[1-[(1-carboxy-2-phenylethyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264752

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid (CID 104984630) is (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid is N[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is LSYTWAIWHLJUNF-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-10(7-6-9-4-2-1-3-5-9)12(17)15-11(8-16)13(18)19/h1-5,10-11,16H,6-8,14H2,(H,15,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104984630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).