1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C14H18N2O3 — CID 113312370

IUPAC1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)NCC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-16(11-6-4-3-5-7-11)13(19)15-10-14(8-9-14)12(17)18/h3-7H,2,8-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyCJKILCBHPAZPPQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds5

About 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312370) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312370
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)NCC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-2-16(11-6-4-3-5-7-11)13(19)15-10-14(8-9-14)12(17)18/h3-7H,2,8-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyCJKILCBHPAZPPQ-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 107736885
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 82114218
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 113312370) is 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CCN(C(=O)NCC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CJKILCBHPAZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(11-6-4-3-5-7-11)13(19)15-10-14(8-9-14)12(17)18/h3-7H,2,8-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).