cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide

C20H22N2O2 — CID 100843088

IUPACcis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-8-9-15(10-13(12)2)16-11-17(16)20(24)22-18(19(21)23)14-6-4-3-5-7-14/h3-10,16-18H,11H2,1-2H3,(H2,21,23)(H,22,24)/t16-,17-,18+/m0/s1
InChIKeyNGWBLGHPIORLBF-OKZBNKHCSA-N
MW322.41 g/mol
LogP2.75
Rot. Bonds5

About cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 100843088) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID100843088
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namecis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-8-9-15(10-13(12)2)16-11-17(16)20(24)22-18(19(21)23)14-6-4-3-5-7-14/h3-10,16-18H,11H2,1-2H3,(H2,21,23)(H,22,24)/t16-,17-,18+/m0/s1
InChIKeyNGWBLGHPIORLBF-OKZBNKHCSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 124787259
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687
(2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 119372319
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
2-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 86782495
(3R,4S)-N-(2-amino-2-oxo-1-phenylethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120920557
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 95589019
4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 95588541
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide (CID 100843088) is cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C.
What is the InChIKey of cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NGWBLGHPIORLBF-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-8-9-15(10-13(12)2)16-11-17(16)20(24)22-18(19(21)23)14-6-4-3-5-7-14/h3-10,16-18H,11H2,1-2H3,(H2,21,23)(H,22,24)/t16-,17-,18+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100843088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).