1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H20N2O3 — CID 63275214

IUPAC1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-13-6-3-9(7-13)8-14(2)10(15)12(4-5-12)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeySZXCPZUXMXEYFV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.26
Rot. Bonds4

About 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 63275214) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID63275214
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-13-6-3-9(7-13)8-14(2)10(15)12(4-5-12)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeySZXCPZUXMXEYFV-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 56828911
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80598397
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 63275214) is 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is CN1CCC(CN(C)C(=O)C2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SZXCPZUXMXEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-6-3-9(7-13)8-14(2)10(15)12(4-5-12)11(16)17/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63275214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).