(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

C8H16N2O2 — CID 137462517

IUPAC(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9(2)5-7-3-4-10(6-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyCFLMPSHCMCSRPL-SSDOTTSWSA-N
MW172.23 g/mol
LogP0.55
Rot. Bonds2

About (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid

(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 137462517) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
PubChem CID137462517
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-9(2)5-7-3-4-10(6-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyCFLMPSHCMCSRPL-SSDOTTSWSA-N
XLogP0.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
CID 89158882
3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
CID 174821287
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid (CID 137462517) is (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is CN(C)C[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is CFLMPSHCMCSRPL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9(2)5-7-3-4-10(6-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid?
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 137462517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).