3-(aminomethyl)pyrrolidine-1-carboxylic acid

C6H12N2O2 — CID 18470958

IUPAC3-(aminomethyl)pyrrolidine-1-carboxylic acid
SMILESNCC1CCN(C(=O)O)C1
InChIInChI=1S/C6H12N2O2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4,7H2,(H,9,10)
InChIKeyUJZUZMCKRDLSKD-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.05
Rot. Bonds1

About 3-(aminomethyl)pyrrolidine-1-carboxylic acid

3-(aminomethyl)pyrrolidine-1-carboxylic acid (PubChem CID 18470958) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(aminomethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)pyrrolidine-1-carboxylic acid
PubChem CID18470958
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(aminomethyl)pyrrolidine-1-carboxylic acid
SMILESNCC1CCN(C(=O)O)C1
InChIInChI=1S/C6H12N2O2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4,7H2,(H,9,10)
InChIKeyUJZUZMCKRDLSKD-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
4-(aminomethyl)azepane-1-carboxylic acid
CID 175902283
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
1-[3-(aminomethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 76933146
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(aminomethyl)pyrrolidine-1-carboxylic acid (CID 18470958) is 3-(aminomethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)pyrrolidine-1-carboxylic acid is NCC1CCN(C(=O)O)C1.
What is the InChIKey of 3-(aminomethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UJZUZMCKRDLSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4,7H2,(H,9,10).
What are the key properties of 3-(aminomethyl)pyrrolidine-1-carboxylic acid?
3-(aminomethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 18470958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).