5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid

C16H24N2O3 — CID 82014367

IUPAC5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(8-9-14(19)20)10-18-16(21)12(2)15(17)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYRZYAABDJCFXCQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds8

About 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid

5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 82014367) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID82014367
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(8-9-14(19)20)10-18-16(21)12(2)15(17)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYRZYAABDJCFXCQ-UHFFFAOYSA-N
XLogP1.94
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid (CID 82014367) is 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is YRZYAABDJCFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(8-9-14(19)20)10-18-16(21)12(2)15(17)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid?
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).