2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid

C9H16N2O3 — CID 130516226

IUPAC2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
SMILESCC1CNCCC1C(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-4-10-3-2-7(6)9(14)11-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyBRTUPGVCPMOWER-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.57
Rot. Bonds3

About 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid

2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid (PubChem CID 130516226) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
PubChem CID130516226
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
SMILESCC1CNCCC1C(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-4-10-3-2-7(6)9(14)11-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyBRTUPGVCPMOWER-UHFFFAOYSA-N
XLogP-0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylpentanamido)acetic acid
CID 28777652
2-(2-propylpentanoylamino)acetic Acid
CID 181919
4-Methylhexanoyl-glycine
CID 129692043
N-(4-Fluoropiperidine-4-carbonyl)-N-methyl-L-valine
CID 156312271
2-[(4-Fluoropiperidine-4-carbonyl)-methylamino]-3-methylbutanoic acid
CID 156312272
n-Methylnipecotylglycine
CID 61158014
3-Methylhexanoylglycine
CID 115729692
2-[(4-Ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258002
2-[(2-Piperidin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258580
2-[(4-Methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258755
2-[Piperidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258834
2-[(2-Methyl-2-piperidin-3-ylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83198462

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid (CID 130516226) is 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid is CC1CNCCC1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is BRTUPGVCPMOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-4-10-3-2-7(6)9(14)11-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid?
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 130516226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).