(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid

C14H20N2O3 — CID 103869775

IUPAC(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)11(15)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyJBDYSLREEJMNJT-KIYNQFGBSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds7

About (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid

(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid (PubChem CID 103869775) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
PubChem CID103869775
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)11(15)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1
InChIKeyJBDYSLREEJMNJT-KIYNQFGBSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 78985510
2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfinylbutanoic acid
CID 91746319
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]pentanedioic acid
CID 18223065
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175735177
(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 145457163
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 18223231
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid (CID 103869775) is (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid is CCC[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid?
The InChIKey is JBDYSLREEJMNJT-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-12(14(18)19)16-13(17)11(15)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid?
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 103869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).