2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid

C9H18N2O2 — CID 96554910

IUPAC2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
SMILESCN(C)C[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)5-8-3-4-11(6-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyLUZYJZCHCAQJMX-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.05
Rot. Bonds4

About 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid

2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 96554910) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
PubChem CID96554910
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
SMILESCN(C)C[C@@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-10(2)5-8-3-4-11(6-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyLUZYJZCHCAQJMX-QMMMGPOBSA-N
XLogP-0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554917
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
CID 66568090
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
2-[2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 115462730
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid (CID 96554910) is 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid is CN(C)C[C@@H]1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is LUZYJZCHCAQJMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)5-8-3-4-11(6-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid?
2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 96554910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).