2-[methyl(piperidine-3-carbonyl)amino]acetic acid

C9H16N2O3 — CID 61158014

IUPAC2-[methyl(piperidine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-11(6-8(12)13)9(14)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyXRTXNKFEXBHJPZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds3

About 2-[methyl(piperidine-3-carbonyl)amino]acetic acid

2-[methyl(piperidine-3-carbonyl)amino]acetic acid (PubChem CID 61158014) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[methyl(piperidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(piperidine-3-carbonyl)amino]acetic acid
PubChem CID61158014
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[methyl(piperidine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-11(6-8(12)13)9(14)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyXRTXNKFEXBHJPZ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(piperidine-3-carbonyl)amino]acetic acid (CID 61158014) is 2-[methyl(piperidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(piperidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(piperidine-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CCCNC1.
What is the InChIKey of 2-[methyl(piperidine-3-carbonyl)amino]acetic acid?
The InChIKey is XRTXNKFEXBHJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-11(6-8(12)13)9(14)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[methyl(piperidine-3-carbonyl)amino]acetic acid?
2-[methyl(piperidine-3-carbonyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61158014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).