2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid

C12H16N2O3 — CID 64693284

IUPAC2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
SMILESCCc1ccccc1CNC(=O)NCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)7-13-12(17)14-8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyCSWZMCAVQCIUJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid

2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid (PubChem CID 64693284) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
PubChem CID64693284
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
SMILESCCc1ccccc1CNC(=O)NCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)7-13-12(17)14-8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyCSWZMCAVQCIUJP-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
1-[(2-hydroxyphenyl)methyl]-3-(2-oxopropyl)urea
CID 117235475
(2S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 64694950
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79800784
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317508

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid (CID 64693284) is 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid is CCc1ccccc1CNC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid?
The InChIKey is CSWZMCAVQCIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-5-3-4-6-10(9)7-13-12(17)14-8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid?
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 64693284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).