2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid

C10H16N2O4 — CID 83192791

IUPAC2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)4-12-9(14)7-2-3-8(13)11-5-7/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyRKXAKYNQWFVACY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.65
Rot. Bonds4

About 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid

2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 83192791) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
PubChem CID83192791
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-6(10(15)16)4-12-9(14)7-2-3-8(13)11-5-7/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyRKXAKYNQWFVACY-UHFFFAOYSA-N
XLogP-0.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid (CID 83192791) is 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid is CC(CNC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is RKXAKYNQWFVACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(10(15)16)4-12-9(14)7-2-3-8(13)11-5-7/h6-7H,2-5H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83192791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).