3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid

C11H15N3O4 — CID 61200194

IUPAC3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)NCc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7(15)9(10(16)17)14-11(18)13-6-8-3-2-4-12-5-8/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUYWXSMAIWHFLNC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.29
Rot. Bonds5

About 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid

3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid (PubChem CID 61200194) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
PubChem CID61200194
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
SMILESCC(O)C(NC(=O)NCc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-7(15)9(10(16)17)14-11(18)13-6-8-3-2-4-12-5-8/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUYWXSMAIWHFLNC-UHFFFAOYSA-N
XLogP-0.29
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61229303
(2S,3R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 106900426
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
2-[(pyridin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218846
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966633
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid (CID 61200194) is 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid is CC(O)C(NC(=O)NCc1cccnc1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is UYWXSMAIWHFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(15)9(10(16)17)14-11(18)13-6-8-3-2-4-12-5-8/h2-5,7,9,15H,6H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).