2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid

C13H17N3O5 — CID 63747077

IUPAC2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
SMILESCNC(=O)CCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C13H17N3O5/c1-14-11(17)6-7-15-13(20)16-9-4-2-3-5-10(9)21-8-12(18)19/h2-5H,6-8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyFLAFAXUGJGVBME-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.41
Rot. Bonds7

About 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid

2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid (PubChem CID 63747077) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
PubChem CID63747077
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
SMILESCNC(=O)CCNC(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C13H17N3O5/c1-14-11(17)6-7-15-13(20)16-9-4-2-3-5-10(9)21-8-12(18)19/h2-5H,6-8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyFLAFAXUGJGVBME-UHFFFAOYSA-N
XLogP0.41
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
CID 63746569
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-(pent-4-enoylamino)phenoxy]acetic acid
CID 55242650
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid (CID 63747077) is 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid is CNC(=O)CCNC(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid?
The InChIKey is FLAFAXUGJGVBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-14-11(17)6-7-15-13(20)16-9-4-2-3-5-10(9)21-8-12(18)19/h2-5H,6-8H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid?
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid is sourced from PubChem (CID 63747077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).