2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid

C13H17N3O4 — CID 62536151

IUPAC2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
SMILESCNC(=O)C(C)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H17N3O4/c1-8(12(19)14-2)15-13(20)16-10-6-4-3-5-9(10)7-11(17)18/h3-6,8H,7H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20)
InChIKeyQWJMRALXAYLQCR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid

2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid (PubChem CID 62536151) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
PubChem CID62536151
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
SMILESCNC(=O)C(C)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H17N3O4/c1-8(12(19)14-2)15-13(20)16-10-6-4-3-5-9(10)7-11(17)18/h3-6,8H,7H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20)
InChIKeyQWJMRALXAYLQCR-UHFFFAOYSA-N
XLogP0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
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CID 75833712
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 63994767
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
5-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465534
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid (CID 62536151) is 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid is CNC(=O)C(C)NC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid?
The InChIKey is QWJMRALXAYLQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(12(19)14-2)15-13(20)16-10-6-4-3-5-9(10)7-11(17)18/h3-6,8H,7H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20).
What are the key properties of 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid?
2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 62536151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).