3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid

C12H22N2O5 — CID 54989771

IUPAC3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCOC1CCCN(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWUYAFBURZTZAEO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid

3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 54989771) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID54989771
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCOC1CCCN(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWUYAFBURZTZAEO-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic 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

(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid (CID 54989771) is 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid is CCCOC1CCCN(C(=O)NC(CO)C(=O)O)C1.
What is the InChIKey of 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is WUYAFBURZTZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-6-19-9-4-3-5-14(7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54989771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).