3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid

C12H24N2O3 — CID 82778625

IUPAC3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
SMILESCCCN(CC(O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-2-7-14(9-11(15)8-12(16)17)10-3-5-13-6-4-10/h10-11,13,15H,2-9H2,1H3,(H,16,17)
InChIKeyHFQDJRVBTGNCPW-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.29
Rot. Bonds7

About 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid

3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid (PubChem CID 82778625) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
PubChem CID82778625
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
SMILESCCCN(CC(O)CC(=O)O)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-2-7-14(9-11(15)8-12(16)17)10-3-5-13-6-4-10/h10-11,13,15H,2-9H2,1H3,(H,16,17)
InChIKeyHFQDJRVBTGNCPW-UHFFFAOYSA-N
XLogP0.29
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
CID 64582704
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 82770886
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
CID 63990099
3,3-dimethyl-1-[piperidin-4-yl(propyl)amino]butan-2-one
CID 62030880
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid (CID 82778625) is 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid is CCCN(CC(O)CC(=O)O)C1CCNCC1.
What is the InChIKey of 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid?
The InChIKey is HFQDJRVBTGNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-7-14(9-11(15)8-12(16)17)10-3-5-13-6-4-10/h10-11,13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid?
3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid is sourced from PubChem (CID 82778625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).