3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid

C10H19NO3 — CID 107225641

IUPAC3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8?,9-/m0/s1
InChIKeyQVZJVLJRFSOYFX-HACHORDNSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds3

About 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid

3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid (PubChem CID 107225641) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
PubChem CID107225641
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8?,9-/m0/s1
InChIKeyQVZJVLJRFSOYFX-HACHORDNSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413727
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid?
The IUPAC name of 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid (CID 107225641) is 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid is CC(C(=O)O)C(C)N1CCC[C@H](O)C1.
What is the InChIKey of 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid?
The InChIKey is QVZJVLJRFSOYFX-HACHORDNSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(13)14)8(2)11-5-3-4-9(12)6-11/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8?,9-/m0/s1.
What are the key properties of 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid?
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 107225641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).