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

C12H17N3O3S — CID 63240581

IUPAC2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1csc(CCNC(=O)N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)4-5-13-12(18)15(6-11(16)17)9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyGODQLHMCWWGVPS-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.25
Rot. Bonds6

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

2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 63240581) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID63240581
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1csc(CCNC(=O)N(CC(=O)O)C2CC2)n1
InChIInChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)4-5-13-12(18)15(6-11(16)17)9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyGODQLHMCWWGVPS-UHFFFAOYSA-N
XLogP1.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 63240895
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
CID 55174649
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
CID 60828450
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390988
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid (CID 63240581) is 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid is Cc1csc(CCNC(=O)N(CC(=O)O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is GODQLHMCWWGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-7-19-10(14-8)4-5-13-12(18)15(6-11(16)17)9-2-3-9/h7,9H,2-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 63240581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).