2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid

C14H20N2O3 — CID 103870869

IUPAC2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
SMILESCCC[C@H](N)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-7-11(15)12(17)16-14(2,13(18)19)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,14?/m0/s1
InChIKeyQCZZUVOOZAJAOU-ZSOXZCCMSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds6

About 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid

2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid (PubChem CID 103870869) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
PubChem CID103870869
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
SMILESCCC[C@H](N)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-7-11(15)12(17)16-14(2,13(18)19)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,14?/m0/s1
InChIKeyQCZZUVOOZAJAOU-ZSOXZCCMSA-N
XLogP1.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
CID 115867310
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid (CID 103870869) is 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid is CCC[C@H](N)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid?
The InChIKey is QCZZUVOOZAJAOU-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-7-11(15)12(17)16-14(2,13(18)19)10-8-5-4-6-9-10/h4-6,8-9,11H,3,7,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,14?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid?
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 103870869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).