4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 114391195

IUPAC4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNCCCN(C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9-7-10(11(8-9)13(17)18)12(16)15(3)6-4-5-14-2/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyCQHXJDVLQYRZGW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.80
Rot. Bonds6

About 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114391195) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114391195
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNCCCN(C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9-7-10(11(8-9)13(17)18)12(16)15(3)6-4-5-14-2/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyCQHXJDVLQYRZGW-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-hydroxybutyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391386
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 102991709
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390721
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 106914945
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
(3S)-N-methyl-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 81134967
2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390269
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93344016
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114391195) is 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid is CNCCCN(C)C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CQHXJDVLQYRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-7-10(11(8-9)13(17)18)12(16)15(3)6-4-5-14-2/h9-11,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).