2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C10H12N2O3S — CID 104770725

IUPAC2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(C(=O)O)N(C=O)C2CC2)n1
InChIInChI=1S/C10H12N2O3S/c1-6-4-16-9(11-6)8(10(14)15)12(5-13)7-2-3-7/h4-5,7-8H,2-3H2,1H3,(H,14,15)
InChIKeyUCVHXHLHJGRZPQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.20
Rot. Bonds5

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

2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 104770725) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID104770725
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1csc(C(C(=O)O)N(C=O)C2CC2)n1
InChIInChI=1S/C10H12N2O3S/c1-6-4-16-9(11-6)8(10(14)15)12(5-13)7-2-3-7/h4-5,7-8H,2-3H2,1H3,(H,14,15)
InChIKeyUCVHXHLHJGRZPQ-UHFFFAOYSA-N
XLogP1.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 104770725) is 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is Cc1csc(C(C(=O)O)N(C=O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is UCVHXHLHJGRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6-4-16-9(11-6)8(10(14)15)12(5-13)7-2-3-7/h4-5,7-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 240.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 104770725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).