(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid

C10H12N4O5S — CID 63715392

IUPAC(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
SMILESCC(=O)Nc1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)cs1
InChIInChI=1S/C10H12N4O5S/c1-4(15)12-10-14-6(3-20-10)8(17)13-5(9(18)19)2-7(11)16/h3,5H,2H2,1H3,(H2,11,16)(H,13,17)(H,18,19)(H,12,14,15)/t5-/m0/s1
InChIKeyROWNWRRVAURKKA-YFKPBYRVSA-N
MW300.30 g/mol
LogP-0.84
Rot. Bonds6

About (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid

(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid (PubChem CID 63715392) has the molecular formula C10H12N4O5S and a molecular weight of 300.30 g/mol. Its IUPAC name is (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
PubChem CID63715392
Molecular FormulaC10H12N4O5S
Molecular Weight300.30 g/mol
Exact Mass300.05
IUPAC Name(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
SMILESCC(=O)Nc1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)cs1
InChIInChI=1S/C10H12N4O5S/c1-4(15)12-10-14-6(3-20-10)8(17)13-5(9(18)19)2-7(11)16/h3,5H,2H2,1H3,(H2,11,16)(H,13,17)(H,18,19)(H,12,14,15)/t5-/m0/s1
InChIKeyROWNWRRVAURKKA-YFKPBYRVSA-N
XLogP-0.84
TPSA151.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid with MolForge

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Related Compounds

2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
4-amino-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-oxobutanoic acid
CID 66375926
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
2-[(2-acetamido-4,5-dimethylthiophene-3-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 82033351
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
CID 107830223
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63713883
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid (CID 63715392) is (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid is CC(=O)Nc1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)cs1.
What is the InChIKey of (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid?
The InChIKey is ROWNWRRVAURKKA-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12N4O5S/c1-4(15)12-10-14-6(3-20-10)8(17)13-5(9(18)19)2-7(11)16/h3,5H,2H2,1H3,(H2,11,16)(H,13,17)(H,18,19)(H,12,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid?
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid has a molecular weight of 300.30 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid is sourced from PubChem (CID 63715392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).