2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid

C13H18N2O3 — CID 61205004

IUPAC2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1ccccc1C
InChIInChI=1S/C13H18N2O3/c1-3-15(9-12(16)17)13(18)14-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZBXQQASLFIGIHH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds5

About 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid

2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid (PubChem CID 61205004) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
PubChem CID61205004
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCc1ccccc1C
InChIInChI=1S/C13H18N2O3/c1-3-15(9-12(16)17)13(18)14-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZBXQQASLFIGIHH-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid (CID 61205004) is 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NCc1ccccc1C.
What is the InChIKey of 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is ZBXQQASLFIGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(9-12(16)17)13(18)14-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid?
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 61205004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).