(2S)-3-methyl-2-piperidin-1-ylbutanoic acid

C10H19NO2 — CID 42304661

IUPAC(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)9(10(12)13)11-6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyMATCBYZVZBSHKR-VIFPVBQESA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About (2S)-3-methyl-2-piperidin-1-ylbutanoic acid

(2S)-3-methyl-2-piperidin-1-ylbutanoic acid (PubChem CID 42304661) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
PubChem CID42304661
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)9(10(12)13)11-6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyMATCBYZVZBSHKR-VIFPVBQESA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-piperidin-1-ylbutanoic acid?
The IUPAC name of (2S)-3-methyl-2-piperidin-1-ylbutanoic acid (CID 42304661) is (2S)-3-methyl-2-piperidin-1-ylbutanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-piperidin-1-ylbutanoic acid?
The canonical SMILES for (2S)-3-methyl-2-piperidin-1-ylbutanoic acid is CC(C)[C@@H](C(=O)O)N1CCCCC1.
What is the InChIKey of (2S)-3-methyl-2-piperidin-1-ylbutanoic acid?
The InChIKey is MATCBYZVZBSHKR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9(10(12)13)11-6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-piperidin-1-ylbutanoic acid?
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 42304661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).