cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

C16H20N2O5 — CID 146106643

IUPACcis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C16H20N2O5/c1-9-4-5-12(13(6-9)23-8-14(19)18(2)3)17-15(20)10-7-11(10)16(21)22/h4-6,10-11H,7-8H2,1-3H3,(H,17,20)(H,21,22)/t10-,11+/m1/s1
InChIKeyOFXLEUXMCLJNRP-MNOVXSKESA-N
MW320.35 g/mol
LogP1.12
Rot. Bonds6

About cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 146106643) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID146106643
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namecis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C16H20N2O5/c1-9-4-5-12(13(6-9)23-8-14(19)18(2)3)17-15(20)10-7-11(10)16(21)22/h4-6,10-11H,7-8H2,1-3H3,(H,17,20)(H,21,22)/t10-,11+/m1/s1
InChIKeyOFXLEUXMCLJNRP-MNOVXSKESA-N
XLogP1.12
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978084
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94647418
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
(1S,6S)-6-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184908
2-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185192
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
6-[(2-methoxy-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60934329
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 146106643) is cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c(OCC(=O)N(C)C)c1.
What is the InChIKey of cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OFXLEUXMCLJNRP-MNOVXSKESA-N. The full InChI is InChI=1S/C16H20N2O5/c1-9-4-5-12(13(6-9)23-8-14(19)18(2)3)17-15(20)10-7-11(10)16(21)22/h4-6,10-11H,7-8H2,1-3H3,(H,17,20)(H,21,22)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146106643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).