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

C11H15N3O4 — CID 61229303

IUPAC4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
SMILESO=C(NCc1cccnc1)NC(CCO)C(=O)O
InChIInChI=1S/C11H15N3O4/c15-5-3-9(10(16)17)14-11(18)13-7-8-2-1-4-12-6-8/h1-2,4,6,9,15H,3,5,7H2,(H,16,17)(H2,13,14,18)
InChIKeyWVXVUYKNRCUMLC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.28
Rot. Bonds6

About 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid

4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid (PubChem CID 61229303) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
PubChem CID61229303
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
SMILESO=C(NCc1cccnc1)NC(CCO)C(=O)O
InChIInChI=1S/C11H15N3O4/c15-5-3-9(10(16)17)14-11(18)13-7-8-2-1-4-12-6-8/h1-2,4,6,9,15H,3,5,7H2,(H,16,17)(H2,13,14,18)
InChIKeyWVXVUYKNRCUMLC-UHFFFAOYSA-N
XLogP-0.28
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
2-[(pyridin-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65218846
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
(2S)-4-hydroxy-2-(1H-imidazol-5-ylmethylcarbamoylamino)butanoic acid
CID 107828209
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid (CID 61229303) is 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid is O=C(NCc1cccnc1)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is WVXVUYKNRCUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-5-3-9(10(16)17)14-11(18)13-7-8-2-1-4-12-6-8/h1-2,4,6,9,15H,3,5,7H2,(H,16,17)(H2,13,14,18).
What are the key properties of 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid?
4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61229303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).