1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid

C14H18N2O3 — CID 79756956

IUPAC1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1CCNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)6-9-15-13(19)16-14(7-8-14)12(17)18/h2-5H,6-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRKFOBPJAJDITAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds5

About 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid

1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 79756956) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID79756956
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1CCNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)6-9-15-13(19)16-14(7-8-14)12(17)18/h2-5H,6-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRKFOBPJAJDITAJ-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 110936098
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid (CID 79756956) is 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid is Cc1ccccc1CCNC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is RKFOBPJAJDITAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)6-9-15-13(19)16-14(7-8-14)12(17)18/h2-5H,6-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid?
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).