trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O3S — CID 99645088

IUPACtrans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@H]1C(=O)O)c1csc(C2CC2)n1
InChIInChI=1S/C13H16N2O3S/c16-11(10-6-19-12(15-10)7-4-5-7)14-9-3-1-2-8(9)13(17)18/h6-9H,1-5H2,(H,14,16)(H,17,18)/t8-,9-/m1/s1
InChIKeyLEXDQFMUNFRMND-RKDXNWHRSA-N
MW280.35 g/mol
LogP2.00
Rot. Bonds4

About trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 99645088) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID99645088
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Nametrans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@H]1C(=O)O)c1csc(C2CC2)n1
InChIInChI=1S/C13H16N2O3S/c16-11(10-6-19-12(15-10)7-4-5-7)14-9-3-1-2-8(9)13(17)18/h6-9H,1-5H2,(H,14,16)(H,17,18)/t8-,9-/m1/s1
InChIKeyLEXDQFMUNFRMND-RKDXNWHRSA-N
XLogP2.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817694
2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 138036512
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
CID 3544141
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
CID 166201928
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 99645088) is trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CCC[C@H]1C(=O)O)c1csc(C2CC2)n1.
What is the InChIKey of trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LEXDQFMUNFRMND-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-11(10-6-19-12(15-10)7-4-5-7)14-9-3-1-2-8(9)13(17)18/h6-9H,1-5H2,(H,14,16)(H,17,18)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 99645088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).