1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid

C14H24N2O3 — CID 61225245

IUPAC1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-11-6-9-16(10-11)13(19)15-14(12(17)18)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyOETHRVLSTJLVKQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds2

About 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 61225245) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID61225245
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-11-6-9-16(10-11)13(19)15-14(12(17)18)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyOETHRVLSTJLVKQ-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 61225245) is 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid is CC1CCN(C(=O)NC2(C(=O)O)CCCCCC2)C1.
What is the InChIKey of 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is OETHRVLSTJLVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-6-9-16(10-11)13(19)15-14(12(17)18)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61225245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).