(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid

C10H14N2O5 — CID 104966633

IUPAC(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NCc1ccoc1)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-6(13)8(9(14)15)12-10(16)11-4-7-2-3-17-5-7/h2-3,5-6,8,13H,4H2,1H3,(H,14,15)(H2,11,12,16)/t6-,8+/m1/s1
InChIKeyHASOCVLKVMWZQO-SVRRBLITSA-N
MW242.23 g/mol
LogP-0.09
Rot. Bonds5

About (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid

(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid (PubChem CID 104966633) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
PubChem CID104966633
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NCc1ccoc1)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-6(13)8(9(14)15)12-10(16)11-4-7-2-3-17-5-7/h2-3,5-6,8,13H,4H2,1H3,(H,14,15)(H2,11,12,16)/t6-,8+/m1/s1
InChIKeyHASOCVLKVMWZQO-SVRRBLITSA-N
XLogP-0.09
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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

2-(furan-3-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 113363536
(2S,3R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 106900426
(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
CID 104874115
4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841243
(2S)-4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841245
4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 103997783
(2R)-4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 114005867
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
(2S)-2-(furan-3-ylmethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104874125
2-[(2-chlorophenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 61182988
(2S)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 103995681

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid (CID 104966633) is (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)NCc1ccoc1)C(=O)O.
What is the InChIKey of (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid?
The InChIKey is HASOCVLKVMWZQO-SVRRBLITSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(13)8(9(14)15)12-10(16)11-4-7-2-3-17-5-7/h2-3,5-6,8,13H,4H2,1H3,(H,14,15)(H2,11,12,16)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid?
(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 104966633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).