(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid

C10H14N2O4S — CID 80756878

IUPAC(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1ccc(CNC(=O)N[C@H](CO)C(=O)O)s1
InChIInChI=1S/C10H14N2O4S/c1-6-2-3-7(17-6)4-11-10(16)12-8(5-13)9(14)15/h2-3,8,13H,4-5H2,1H3,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyFBXALZHJIPGFNA-MRVPVSSYSA-N
MW258.30 g/mol
LogP0.30
Rot. Bonds5

About (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid (PubChem CID 80756878) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
PubChem CID80756878
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
SMILESCc1ccc(CNC(=O)N[C@H](CO)C(=O)O)s1
InChIInChI=1S/C10H14N2O4S/c1-6-2-3-7(17-6)4-11-10(16)12-8(5-13)9(14)15/h2-3,8,13H,4-5H2,1H3,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyFBXALZHJIPGFNA-MRVPVSSYSA-N
XLogP0.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic 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

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
(2S)-3-methyl-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 55029485
(2S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 54962472
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 106900478
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid (CID 80756878) is (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid is Cc1ccc(CNC(=O)N[C@H](CO)C(=O)O)s1.
What is the InChIKey of (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is FBXALZHJIPGFNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-2-3-7(17-6)4-11-10(16)12-8(5-13)9(14)15/h2-3,8,13H,4-5H2,1H3,(H,14,15)(H2,11,12,16)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 80756878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).