2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid

C13H16N2O5 — CID 61329062

IUPAC2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1ccc(CNC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-9-2-4-10(5-3-9)6-14-13(19)15-11(16)7-20-8-12(17)18/h2-5H,6-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDJXJEJNKCYHBAX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.42
Rot. Bonds6

About 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61329062) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61329062
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
SMILESCc1ccc(CNC(=O)NC(=O)COCC(=O)O)cc1
InChIInChI=1S/C13H16N2O5/c1-9-2-4-10(5-3-9)6-14-13(19)15-11(16)7-20-8-12(17)18/h2-5H,6-8H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDJXJEJNKCYHBAX-UHFFFAOYSA-N
XLogP0.42
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylcarbamoylamino]oxyacetic acid
CID 53397506
2-[2-[(3-cyanophenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 62312800
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 17283229
2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-2-oxoethoxy]acetic acid
CID 106303335
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid (CID 61329062) is 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid is Cc1ccc(CNC(=O)NC(=O)COCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is DJXJEJNKCYHBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-9-2-4-10(5-3-9)6-14-13(19)15-11(16)7-20-8-12(17)18/h2-5H,6-8H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)methylcarbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).