(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid

C13H18N2O3 — CID 103869746

IUPAC(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-6-10(13(17)18)15-12(16)11(14)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6,14H2,1H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1
InChIKeyGVAZCUUKNMWLSR-QWRGUYRKSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds6

About (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid

(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid (PubChem CID 103869746) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
PubChem CID103869746
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-6-10(13(17)18)15-12(16)11(14)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6,14H2,1H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1
InChIKeyGVAZCUUKNMWLSR-QWRGUYRKSA-N
XLogP1.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
CID 107825156
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
CID 61157194
(2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]hexanoic acid
CID 106312836
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid (CID 103869746) is (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid is CCC[C@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid?
The InChIKey is GVAZCUUKNMWLSR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-6-10(13(17)18)15-12(16)11(14)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6,14H2,1H3,(H,15,16)(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid?
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid is sourced from PubChem (CID 103869746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).