5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid

C14H20N2O3 — CID 82847398

IUPAC5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(6-5-9-12(17)18)16-14(19)13(15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,15H2,1H3,(H,16,19)(H,17,18)/t10?,13-/m1/s1
InChIKeyVNLKMHNEUWQMKH-JLOHTSLTSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds7

About 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid

5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid (PubChem CID 82847398) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
PubChem CID82847398
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(6-5-9-12(17)18)16-14(19)13(15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,15H2,1H3,(H,16,19)(H,17,18)/t10?,13-/m1/s1
InChIKeyVNLKMHNEUWQMKH-JLOHTSLTSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348
2-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668952
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid?
The IUPAC name of 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid (CID 82847398) is 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid?
The InChIKey is VNLKMHNEUWQMKH-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(6-5-9-12(17)18)16-14(19)13(15)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9,15H2,1H3,(H,16,19)(H,17,18)/t10?,13-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid?
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid is sourced from PubChem (CID 82847398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).