(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid

C8H11N5O4S — CID 114005864

IUPAC(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCc1nnc(NC(=O)N[C@H](CC(N)=O)C(=O)O)s1
InChIInChI=1S/C8H11N5O4S/c1-3-12-13-8(18-3)11-7(17)10-4(6(15)16)2-5(9)14/h4H,2H2,1H3,(H2,9,14)(H,15,16)(H2,10,11,13,17)/t4-/m1/s1
InChIKeyAXCMJMNATAMJJM-SCSAIBSYSA-N
MW273.27 g/mol
LogP-0.70
Rot. Bonds5

About (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 114005864) has the molecular formula C8H11N5O4S and a molecular weight of 273.27 g/mol. Its IUPAC name is (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
PubChem CID114005864
Molecular FormulaC8H11N5O4S
Molecular Weight273.27 g/mol
Exact Mass273.05
IUPAC Name(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
SMILESCc1nnc(NC(=O)N[C@H](CC(N)=O)C(=O)O)s1
InChIInChI=1S/C8H11N5O4S/c1-3-12-13-8(18-3)11-7(17)10-4(6(15)16)2-5(9)14/h4H,2H2,1H3,(H2,9,14)(H,15,16)(H2,10,11,13,17)/t4-/m1/s1
InChIKeyAXCMJMNATAMJJM-SCSAIBSYSA-N
XLogP-0.70
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic 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

(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104873963
(2S)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873943
(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid
CID 104895380
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[(2,6-dimethylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825937
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
(2R)-4-amino-4-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)butanoic acid
CID 107826932
(2S)-4-amino-4-oxo-2-(pyrimidin-2-ylcarbamoylamino)butanoic acid
CID 63714897
(2S)-2-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 107841233
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid (CID 114005864) is (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid is Cc1nnc(NC(=O)N[C@H](CC(N)=O)C(=O)O)s1.
What is the InChIKey of (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is AXCMJMNATAMJJM-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11N5O4S/c1-3-12-13-8(18-3)11-7(17)10-4(6(15)16)2-5(9)14/h4H,2H2,1H3,(H2,9,14)(H,15,16)(H2,10,11,13,17)/t4-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 273.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 114005864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).