2-hydroxy-4-piperidin-1-ylbutanoic acid

C9H17NO3 — CID 107841705

IUPAC2-hydroxy-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)C(O)CCN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-8(9(12)13)4-7-10-5-2-1-3-6-10/h8,11H,1-7H2,(H,12,13)
InChIKeyNKVIZZOXIIAKFY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds4

About 2-hydroxy-4-piperidin-1-ylbutanoic acid

2-hydroxy-4-piperidin-1-ylbutanoic acid (PubChem CID 107841705) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-hydroxy-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-piperidin-1-ylbutanoic acid
PubChem CID107841705
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-hydroxy-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)C(O)CCN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-8(9(12)13)4-7-10-5-2-1-3-6-10/h8,11H,1-7H2,(H,12,13)
InChIKeyNKVIZZOXIIAKFY-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[4,7-bis[(3S)-3-carboxy-3-hydroxypropyl]-1,4,7-triazonan-1-yl]-2-hydroxybutanoic acid
CID 100975511
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
4-(2-azaspiro[3.4]octan-2-yl)-2-hydroxybutanoic acid
CID 107841687
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
4-(azepan-1-yl)-2-(cyclopropylamino)butanoic acid
CID 55145645
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
2-methyl-5-pyrrolidin-1-ylpentanoic acid
CID 104686947
cyclohexane-1,2-diamine;2-hydroxy-5-piperidin-1-ylpentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;platinum(2+)
CID 71603960
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2,3-dimethyl-5-piperidin-1-ylpentanamide
CID 123521820
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-hydroxy-4-piperidin-1-ylbutanoic acid (CID 107841705) is 2-hydroxy-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-hydroxy-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-hydroxy-4-piperidin-1-ylbutanoic acid is O=C(O)C(O)CCN1CCCCC1.
What is the InChIKey of 2-hydroxy-4-piperidin-1-ylbutanoic acid?
The InChIKey is NKVIZZOXIIAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-8(9(12)13)4-7-10-5-2-1-3-6-10/h8,11H,1-7H2,(H,12,13).
What are the key properties of 2-hydroxy-4-piperidin-1-ylbutanoic acid?
2-hydroxy-4-piperidin-1-ylbutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 107841705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).