(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid

C10H12N2O6 — CID 104874115

IUPAC(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)NCc1ccoc1)C(=O)O
InChIInChI=1S/C10H12N2O6/c13-8(14)3-7(9(15)16)12-10(17)11-4-6-1-2-18-5-6/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyHUMKGPBSGJOWGA-ZETCQYMHSA-N
MW256.21 g/mol
LogP0.01
Rot. Bonds6

About (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid

(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid (PubChem CID 104874115) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
PubChem CID104874115
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)NCc1ccoc1)C(=O)O
InChIInChI=1S/C10H12N2O6/c13-8(14)3-7(9(15)16)12-10(17)11-4-6-1-2-18-5-6/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyHUMKGPBSGJOWGA-ZETCQYMHSA-N
XLogP0.01
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic 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

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
(2S)-2-(furan-3-ylmethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104874125
(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966633
(2S)-4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841245
4-(furan-3-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841243
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
1-(furan-3-ylmethyl)-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626390
1-(furan-3-ylmethyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 124626389
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid?
The IUPAC name of (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid (CID 104874115) is (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid is O=C(O)C[C@H](NC(=O)NCc1ccoc1)C(=O)O.
What is the InChIKey of (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid?
The InChIKey is HUMKGPBSGJOWGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O6/c13-8(14)3-7(9(15)16)12-10(17)11-4-6-1-2-18-5-6/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid?
(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid has a molecular weight of 256.21 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid is sourced from PubChem (CID 104874115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).