3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid

C11H19NO3 — CID 107175271

IUPAC3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1CCCC1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8-4-3-5-9(8)11(15)12(2)7-6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVYBYQRFUIMVKAN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds4

About 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid

3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 107175271) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID107175271
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1CCCC1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8-4-3-5-9(8)11(15)12(2)7-6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyVYBYQRFUIMVKAN-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
3-[(2,6-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 122004955
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
CID 107183874
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107178697
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
N-(2-aminoethyl)-N-cyclobutyl-2-methylcyclopentane-1-carboxamide
CID 107184819
3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
cis-(1S,2R)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092193

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid (CID 107175271) is 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid is CC1CCCC1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is VYBYQRFUIMVKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-3-5-9(8)11(15)12(2)7-6-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid?
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 107175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).