2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid

C17H17NO3S — CID 86782495

IUPAC2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
SMILESCc1ccsc1C1CC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3S/c1-10-7-8-22-15(10)12-9-13(12)16(19)18-14(17(20)21)11-5-3-2-4-6-11/h2-8,12-14H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRDJYOJKWORSUMG-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.10
Rot. Bonds5

About 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid

2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid (PubChem CID 86782495) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
PubChem CID86782495
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
SMILESCc1ccsc1C1CC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO3S/c1-10-7-8-22-15(10)12-9-13(12)16(19)18-14(17(20)21)11-5-3-2-4-6-11/h2-8,12-14H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRDJYOJKWORSUMG-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]butanoic acid
CID 124845391
trans-(1R,2R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124777197
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 91660012
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 100843088
(2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 119372319
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
CID 139011850
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124731893
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid (CID 86782495) is 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid is Cc1ccsc1C1CC1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid?
The InChIKey is RDJYOJKWORSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-10-7-8-22-15(10)12-9-13(12)16(19)18-14(17(20)21)11-5-3-2-4-6-11/h2-8,12-14H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid?
2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid has a molecular weight of 315.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 86782495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).