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

C10H20N2O2 — CID 96554914

IUPAC2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
SMILESCN(C)C[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)6-9-4-3-5-12(7-9)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyCPSQNJCVUDZHTC-VIFPVBQESA-N
MW200.28 g/mol
LogP0.34
Rot. Bonds4

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

2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid (PubChem CID 96554914) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
PubChem CID96554914
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
SMILESCN(C)C[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)6-9-4-3-5-12(7-9)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyCPSQNJCVUDZHTC-VIFPVBQESA-N
XLogP0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-[3-(iodomethyl)piperidin-1-yl]acetic acid
CID 66563796
2-[(3S)-3-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]acetic acid
CID 96553828
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554917
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 100881377
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid (CID 96554914) is 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid is CN(C)C[C@@H]1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid?
The InChIKey is CPSQNJCVUDZHTC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)6-9-4-3-5-12(7-9)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid?
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.34, 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]piperidin-1-yl]acetic acid is sourced from PubChem (CID 96554914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).