(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid

C11H19NO3 — CID 81120837

IUPAC(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCCC(C)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-8(2)10(13)12-6-4-5-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyBGYPWZQLAHUGGX-GKAPJAKFSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid

(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 81120837) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
PubChem CID81120837
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCCC(C)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-8(2)10(13)12-6-4-5-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyBGYPWZQLAHUGGX-GKAPJAKFSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-(2,4-dimethylpent-4-enoyl)piperidine-3-carboxylic acid
CID 120684312
2-[methyl-[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]acetic acid
CID 119172432
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid (CID 81120837) is (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid is CCC(C)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is BGYPWZQLAHUGGX-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8(2)10(13)12-6-4-5-9(7-12)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).