1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid

C15H24N2O4 — CID 82765950

IUPAC1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9-8-10(9)13(19)16-7-5-12(18)17-11-4-3-6-15(11,2)14(20)21/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHWXBDRDWXBSAMG-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.91
Rot. Bonds6

About 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 82765950) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID82765950
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9-8-10(9)13(19)16-7-5-12(18)17-11-4-3-6-15(11,2)14(20)21/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHWXBDRDWXBSAMG-UHFFFAOYSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81362085
2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115362728
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentyl]acetic acid
CID 64671418
2-[1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclobutyl]acetic acid
CID 79845909
2-[3-(2,2-difluoroethoxy)propanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 103206218
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid (CID 82765950) is 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is CC1CC1C(=O)NCCC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HWXBDRDWXBSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9-8-10(9)13(19)16-7-5-12(18)17-11-4-3-6-15(11,2)14(20)21/h9-11H,3-8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).