2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid

C11H15N3O3S — CID 62637206

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6(9(15)16)14(2)11(17)13-10-12-8(5-18-10)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyWURRDFNHNJAHIO-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.96
Rot. Bonds4

About 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid

2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid (PubChem CID 62637206) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
PubChem CID62637206
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6(9(15)16)14(2)11(17)13-10-12-8(5-18-10)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyWURRDFNHNJAHIO-UHFFFAOYSA-N
XLogP1.96
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
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
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
CID 56782412
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
CID 110896761
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid (CID 62637206) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid?
The InChIKey is WURRDFNHNJAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6(9(15)16)14(2)11(17)13-10-12-8(5-18-10)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).