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

C12H15N3O5 — CID 61199513

IUPAC2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15N3O5/c1-13-10(16)6-14-12(19)15-8-3-2-4-9(5-8)20-7-11(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyHZVKUCSVCFPYBK-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.02
Rot. Bonds6

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

2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid (PubChem CID 61199513) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
PubChem CID61199513
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H15N3O5/c1-13-10(16)6-14-12(19)15-8-3-2-4-9(5-8)20-7-11(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyHZVKUCSVCFPYBK-UHFFFAOYSA-N
XLogP0.02
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
CID 119224874
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63244370

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid (CID 61199513) is 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid is CNC(=O)CNC(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid?
The InChIKey is HZVKUCSVCFPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-13-10(16)6-14-12(19)15-8-3-2-4-9(5-8)20-7-11(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid?
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid is sourced from PubChem (CID 61199513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).