2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid

C13H16N2O4 — CID 55242463

IUPAC2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-11-5-3-10(4-6-11)15-13(18)14-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyJZZLKBDDBKUTND-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.68
Rot. Bonds6

About 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid

2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 55242463) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID55242463
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(17)8-19-11-5-3-10(4-6-11)15-13(18)14-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,16,17)(H2,14,15,18)
InChIKeyJZZLKBDDBKUTND-UHFFFAOYSA-N
XLogP1.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
CID 49288381
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
CID 64612475
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
methyl 2-[4-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137261
2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
3-[4-(cyclopropylmethylcarbamoylamino)phenyl]prop-2-enoic acid
CID 61182833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid (CID 55242463) is 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)NCC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is JZZLKBDDBKUTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(17)8-19-11-5-3-10(4-6-11)15-13(18)14-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid?
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 55242463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).