3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid

C10H13N3O3S — CID 64894586

IUPAC3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H13N3O3S/c11-6(3-8(14)15)9(16)13-10-12-7(4-17-10)5-1-2-5/h4-6H,1-3,11H2,(H,14,15)(H,12,13,16)
InChIKeyRBVFDNDBCYZIGZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid

3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid (PubChem CID 64894586) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
PubChem CID64894586
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H13N3O3S/c11-6(3-8(14)15)9(16)13-10-12-7(4-17-10)5-1-2-5/h4-6H,1-3,11H2,(H,14,15)(H,12,13,16)
InChIKeyRBVFDNDBCYZIGZ-UHFFFAOYSA-N
XLogP0.76
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)hexanamide
CID 54959133
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 106112621
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 64896566
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
CID 56782412
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylbutanamide
CID 79805640
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
CID 103155653
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide;hydrochloride
CID 120589106
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid (CID 64894586) is 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid is NC(CC(=O)O)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is RBVFDNDBCYZIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-6(3-8(14)15)9(16)13-10-12-7(4-17-10)5-1-2-5/h4-6H,1-3,11H2,(H,14,15)(H,12,13,16).
What are the key properties of 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 255.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64894586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).