2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid

C12H21NO3 — CID 119202197

IUPAC2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
SMILESCC(C)CCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(2)4-7-11(14)13(10-5-6-10)9(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyMPGURUXBYFQIAR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds6

About 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid

2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid (PubChem CID 119202197) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
PubChem CID119202197
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
SMILESCC(C)CCC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-8(2)4-7-11(14)13(10-5-6-10)9(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyMPGURUXBYFQIAR-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 115277291
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
CID 122067557
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[cyclopropyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119202169
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
CID 119202570
2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
CID 119202829
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
2-[cyclopropyl-(2-prop-2-enoxyacetyl)amino]propanoic acid
CID 122067112

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid (CID 119202197) is 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid is CC(C)CCC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid?
The InChIKey is MPGURUXBYFQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)4-7-11(14)13(10-5-6-10)9(3)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid?
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 119202197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).