4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid

C10H14N2O5 — CID 107841243

IUPAC4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)NCc1ccoc1
InChIInChI=1S/C10H14N2O5/c13-8(9(14)15)1-3-11-10(16)12-5-7-2-4-17-6-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)(H2,11,12,16)
InChIKeyCPBOBJYBQQNXCT-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.09
Rot. Bonds6

About 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid

4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107841243) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107841243
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)NCc1ccoc1
InChIInChI=1S/C10H14N2O5/c13-8(9(14)15)1-3-11-10(16)12-5-7-2-4-17-6-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)(H2,11,12,16)
InChIKeyCPBOBJYBQQNXCT-UHFFFAOYSA-N
XLogP-0.09
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841245
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
4-[(4-bromophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838243
(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966633
(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
CID 104874115
(2S)-4-[(4-fluoro-3,5-dimethylphenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107840511
4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 103997783
(2R)-4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 114005867
2-(furan-3-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 113363536
1-[(4-chlorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106415
1-[(4-chlorophenyl)methyl]-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 71804506
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid (CID 107841243) is 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)NCc1ccoc1.
What is the InChIKey of 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is CPBOBJYBQQNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-8(9(14)15)1-3-11-10(16)12-5-7-2-4-17-6-7/h2,4,6,8,13H,1,3,5H2,(H,14,15)(H2,11,12,16).
What are the key properties of 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid?
4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).