(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid

C10H14N4O4S — CID 114004767

IUPAC(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4S/c1-2-3-5-8(19-14-13-5)9(16)12-6(10(17)18)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t6-/m1/s1
InChIKeyFMVZRBYNYJRYDI-ZCFIWIBFSA-N
MW286.31 g/mol
LogP-0.45
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid (PubChem CID 114004767) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
PubChem CID114004767
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4S/c1-2-3-5-8(19-14-13-5)9(16)12-6(10(17)18)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t6-/m1/s1
InChIKeyFMVZRBYNYJRYDI-ZCFIWIBFSA-N
XLogP-0.45
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic 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)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 104894365
(2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823345
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 55229401
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid (CID 114004767) is (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid is CCCc1nnsc1C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is FMVZRBYNYJRYDI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-2-3-5-8(19-14-13-5)9(16)12-6(10(17)18)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,16)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114004767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).