3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid

C10H18N2O2 — CID 174821287

IUPAC3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
SMILESCN(CC1CC1)C1CCN(C(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(6-8-2-3-8)9-4-5-12(7-9)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyFJJXZVKUEGXURQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.08
Rot. Bonds3

About 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid

3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 174821287) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID174821287
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
SMILESCN(CC1CC1)C1CCN(C(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(6-8-2-3-8)9-4-5-12(7-9)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyFJJXZVKUEGXURQ-UHFFFAOYSA-N
XLogP1.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
CID 22047732
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
3-[ethyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 166901348
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
4-[[(4-cyanobenzoyl)-methylamino]methyl]piperidine-1-carboxylic acid
CID 141379176
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid (CID 174821287) is 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid is CN(CC1CC1)C1CCN(C(=O)O)C1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is FJJXZVKUEGXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(6-8-2-3-8)9-4-5-12(7-9)10(13)14/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid?
3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174821287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).