2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid

C14H18N2O4 — CID 63773425

IUPAC2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
SMILESCC(NC(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-9(10-2-3-10)15-14(19)16-11-4-6-12(7-5-11)20-8-13(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMGJCXHCUZWUGDF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid

2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63773425) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63773425
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
SMILESCC(NC(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-9(10-2-3-10)15-14(19)16-11-4-6-12(7-5-11)20-8-13(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyMGJCXHCUZWUGDF-UHFFFAOYSA-N
XLogP2.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
CID 112640150
2-[4-[2-(methylamino)propanoylamino]phenoxy]acetic acid
CID 63745547
2-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
CID 47033715
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
CID 60522515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid (CID 63773425) is 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid is CC(NC(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1.
What is the InChIKey of 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is MGJCXHCUZWUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(10-2-3-10)15-14(19)16-11-4-6-12(7-5-11)20-8-13(17)18/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid?
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63773425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).