1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid

C11H15N3O3S — CID 81161359

IUPAC1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)NC2(C(=O)O)CCC2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6(12)9-13-7(5-18-9)8(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyJUVVRYJYLJMAGJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.90
Rot. Bonds4

About 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81161359) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81161359
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(N)c1nc(C(=O)NC2(C(=O)O)CCC2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6(12)9-13-7(5-18-9)8(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyJUVVRYJYLJMAGJ-UHFFFAOYSA-N
XLogP0.90
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433669
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 81161359) is 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid is CC(N)c1nc(C(=O)NC2(C(=O)O)CCC2)cs1.
What is the InChIKey of 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is JUVVRYJYLJMAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6(12)9-13-7(5-18-9)8(15)14-11(10(16)17)3-2-4-11/h5-6H,2-4,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81161359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).