3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid

C11H16N2O3 — CID 103258978

IUPAC3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
SMILESC[C@@H](NCC(O)CC(=O)O)c1ccncc1
InChIInChI=1S/C11H16N2O3/c1-8(9-2-4-12-5-3-9)13-7-10(14)6-11(15)16/h2-5,8,10,13-14H,6-7H2,1H3,(H,15,16)/t8-,10?/m1/s1
InChIKeyIUPVLZHJRUUPCQ-HNHGDDPOSA-N
MW224.26 g/mol
LogP0.57
Rot. Bonds6

About 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid

3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid (PubChem CID 103258978) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
PubChem CID103258978
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
SMILESC[C@@H](NCC(O)CC(=O)O)c1ccncc1
InChIInChI=1S/C11H16N2O3/c1-8(9-2-4-12-5-3-9)13-7-10(14)6-11(15)16/h2-5,8,10,13-14H,6-7H2,1H3,(H,15,16)/t8-,10?/m1/s1
InChIKeyIUPVLZHJRUUPCQ-HNHGDDPOSA-N
XLogP0.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]propanoic acid
CID 103258965
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
2-[4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenyl]acetic acid
CID 103258913

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid (CID 103258978) is 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid is C[C@@H](NCC(O)CC(=O)O)c1ccncc1.
What is the InChIKey of 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid?
The InChIKey is IUPVLZHJRUUPCQ-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(9-2-4-12-5-3-9)13-7-10(14)6-11(15)16/h2-5,8,10,13-14H,6-7H2,1H3,(H,15,16)/t8-,10?/m1/s1.
What are the key properties of 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid?
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid is sourced from PubChem (CID 103258978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).