2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid

C14H18N2O3S — CID 138036512

IUPAC2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCC1)c1csc(C2CC2)n1
InChIInChI=1S/C14H18N2O3S/c17-12(10-7-20-13(15-10)9-5-6-9)16-11(14(18)19)8-3-1-2-4-8/h7-9,11H,1-6H2,(H,16,17)(H,18,19)
InChIKeyLPPGVTRJUGJJFK-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.39
Rot. Bonds5

About 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid

2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 138036512) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID138036512
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCC1)c1csc(C2CC2)n1
InChIInChI=1S/C14H18N2O3S/c17-12(10-7-20-13(15-10)9-5-6-9)16-11(14(18)19)8-3-1-2-4-8/h7-9,11H,1-6H2,(H,16,17)(H,18,19)
InChIKeyLPPGVTRJUGJJFK-UHFFFAOYSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 99645088
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
(2S)-2-[(3S)-oxan-3-yl]-2-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129470400
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
CID 61014498
2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
CID 79399207
2-cyclopropyl-2-[[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119214090
2-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213695
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
2-(oxan-3-yl)-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 120548551

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 138036512) is 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCC1)c1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is LPPGVTRJUGJJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-12(10-7-20-13(15-10)9-5-6-9)16-11(14(18)19)8-3-1-2-4-8/h7-9,11H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 294.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 138036512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).