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

C14H24N2O3 — CID 54938838

IUPAC1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(C(=O)NC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-16-9-6-11(10-16)12(17)15-14(13(18)19)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyDQCLYBZJJHEPNA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds3

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

1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 54938838) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID54938838
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCN1CCC(C(=O)NC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-16-9-6-11(10-16)12(17)15-14(13(18)19)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyDQCLYBZJJHEPNA-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164173
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
1-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169412
1-methyl-N-(3-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 130901496
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62547368
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 125438462
N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide
CID 58597773

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 54938838) is 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is CN1CCC(C(=O)NC2(C(=O)O)CCCCCC2)C1.
What is the InChIKey of 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is DQCLYBZJJHEPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16-9-6-11(10-16)12(17)15-14(13(18)19)7-4-2-3-5-8-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 54938838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).