2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid

C16H24N2O3 — CID 175596193

IUPAC2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
SMILESCCCC(N)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-8-13(17)14(19)18(16(2,3)15(20)21)11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,17H2,1-3H3,(H,20,21)
InChIKeyKITFEFCPWKMXCX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid

2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid (PubChem CID 175596193) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
PubChem CID175596193
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
SMILESCCCC(N)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-8-13(17)14(19)18(16(2,3)15(20)21)11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,17H2,1-3H3,(H,20,21)
InChIKeyKITFEFCPWKMXCX-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870863
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid
CID 104897827
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
2-amino-N-ethyl-N-(1-phenylbutan-2-yl)pentanamide
CID 119337188
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870861
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid (CID 175596193) is 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid is CCCC(N)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid?
The InChIKey is KITFEFCPWKMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-8-13(17)14(19)18(16(2,3)15(20)21)11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11,17H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid?
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 175596193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).