1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid

C13H22N2O4 — CID 122113995

IUPAC1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCCC(=O)NCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C13H22N2O4/c1-3-4-11(16)14-7-12(17)15-8-10(13(18)19)6-5-9(15)2/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)
InChIKeySBLGEEAIQNVGLI-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds5

About 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid

1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113995) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113995
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
SMILESCCCC(=O)NCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C13H22N2O4/c1-3-4-11(16)14-7-12(17)15-8-10(13(18)19)6-5-9(15)2/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19)
InChIKeySBLGEEAIQNVGLI-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122113753
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
1-[2-[ethylsulfonyl(methyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113428
1-[2-[(3-bromobenzoyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083898
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
CID 122113639
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
1-[2-(cyclopropylmethoxy)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113926
6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
CID 122113359
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 119468639
6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
CID 122113402
1-[2-(2-carbamoylanilino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122112866

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid (CID 122113995) is 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid is CCCC(=O)NCC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is SBLGEEAIQNVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-4-11(16)14-7-12(17)15-8-10(13(18)19)6-5-9(15)2/h9-10H,3-8H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).