2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid

C16H30N2O3 — CID 82763950

IUPAC2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCCC(CCN)CCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-5-12(9-11-17)7-8-14(19)18-13-6-4-10-16(13,2)15(20)21/h12-13H,3-11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNEFYVKVHENZXHK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.29
Rot. Bonds9

About 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763950) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763950
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCCC(CCN)CCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-5-12(9-11-17)7-8-14(19)18-13-6-4-10-16(13,2)15(20)21/h12-13H,3-11,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNEFYVKVHENZXHK-UHFFFAOYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456
2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 104685502
2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 82765950
2-(hex-1-yn-3-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 106232592
2-[3-(2,2-difluoroethoxy)propanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 103206218
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
CID 103063122
2-[3-(ethylamino)butanoylamino]-1-methylcyclohexane-1-carboxylic acid
CID 83214006
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763950) is 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid is CCCC(CCN)CCC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is NEFYVKVHENZXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-5-12(9-11-17)7-8-14(19)18-13-6-4-10-16(13,2)15(20)21/h12-13H,3-11,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).