2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

C14H18N2O3 — CID 61196177

IUPAC2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1ccc(CC(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(12-7-8-12)14(19)15-11-5-3-10(4-6-11)9-13(17)18/h3-6,12H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyOTOKVXUYDRGJNB-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds5

About 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 61196177) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID61196177
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1ccc(CC(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(12-7-8-12)14(19)15-11-5-3-10(4-6-11)9-13(17)18/h3-6,12H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyOTOKVXUYDRGJNB-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
2-[4-[[methyl(pentan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 61202717
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl)-1-ethylurea
CID 61231908
2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
CID 120537806
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (CID 61196177) is 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is CCN(C(=O)Nc1ccc(CC(=O)O)cc1)C1CC1.
What is the InChIKey of 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is OTOKVXUYDRGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(12-7-8-12)14(19)15-11-5-3-10(4-6-11)9-13(17)18/h3-6,12H,2,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 61196177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).