2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid

C14H24N2O4 — CID 119172432

IUPAC2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-4-10(2)13(19)16-7-5-6-11(8-16)14(20)15(3)9-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMQRAWHVOCQPWKW-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.81
Rot. Bonds5

About 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid

2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 119172432) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID119172432
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
SMILESCCC(C)C(=O)N1CCCC(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-4-10(2)13(19)16-7-5-6-11(8-16)14(20)15(3)9-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMQRAWHVOCQPWKW-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119233185
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-[[(2S)-butan-2-yl]-[(3R)-1-carbamoylpiperidine-3-carbonyl]amino]acetic acid
CID 129365613
2-methyl-3-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119228849
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid (CID 119172432) is 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid is CCC(C)C(=O)N1CCCC(C(=O)N(C)CC(=O)O)C1.
What is the InChIKey of 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is MQRAWHVOCQPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-10(2)13(19)16-7-5-6-11(8-16)14(20)15(3)9-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid?
2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119172432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).