2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid

C9H18N2O2 — CID 83483250

IUPAC2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
SMILESCNC(C(=O)O)C1CCCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-8(9(12)13)7-4-3-5-11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyGYPRMPWTRGOYHK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.00
Rot. Bonds3

About 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid

2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid (PubChem CID 83483250) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
PubChem CID83483250
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
SMILESCNC(C(=O)O)C1CCCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-8(9(12)13)7-4-3-5-11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyGYPRMPWTRGOYHK-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid
CID 154674929
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
(2R)-6-borono-2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid
CID 71600432
(2S,3R)-3-(2-boronoethyl)piperidine-2-carboxylic acid
CID 164619826
(2R,4S)-rel-Piperidine-2,4-dicarboxylic acid
CID 13353755
trans-Piperidine-2,4-dicarboxylic acid
CID 13353756
(2S,4S)-piperidine-2,4-dicarboxylic acid
CID 44278261
4-(2-Boronoethyl)piperidine-2-carboxylic acid
CID 147497008
2-Amino-3-(1-methylpiperidin-4-yl)propanoic acid
CID 59751677
rac-(2R,4R)-4-methylpiperidine-2-carboxylic acid hydrochloride
CID 67078918
5-Methylpiperidine-2-carboxylic acid hydrochloride
CID 69619338
3,3-Dimethylpiperidine-2-carboxylic acid hydrochloride
CID 86775685

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid (CID 83483250) is 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid is CNC(C(=O)O)C1CCCN(C)C1.
What is the InChIKey of 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid?
The InChIKey is GYPRMPWTRGOYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-8(9(12)13)7-4-3-5-11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid?
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 83483250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).