1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C16H27NO3 — CID 63880287

IUPAC1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO3/c1-12-9-13(12)11-17(2)14(18)10-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyUCCKEQZMPGBXRB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 63880287) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID63880287
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H27NO3/c1-12-9-13(12)11-17(2)14(18)10-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyUCCKEQZMPGBXRB-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-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-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 63879965
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529142
1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 63859022
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid
CID 65241050
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113499545
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 63880287) is 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CC1CC1CN(C)C(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is UCCKEQZMPGBXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-9-13(12)11-17(2)14(18)10-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63880287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).