2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride

C10H13ClN2O3 — CID 70623172

IUPAC2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
SMILESCNC(=O)Nc1cccc(CC(=O)O)c1.Cl
InChIInChI=1S/C10H12N2O3.ClH/c1-11-10(15)12-8-4-2-3-7(5-8)6-9(13)14;/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15);1H
InChIKeyUOSMXDVNMFWEBT-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.49
Rot. Bonds3

About 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride

2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride (PubChem CID 70623172) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
PubChem CID70623172
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
SMILESCNC(=O)Nc1cccc(CC(=O)O)c1.Cl
InChIInChI=1S/C10H12N2O3.ClH/c1-11-10(15)12-8-4-2-3-7(5-8)6-9(13)14;/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15);1H
InChIKeyUOSMXDVNMFWEBT-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(chloromethyl)phenyl]-3-methylurea
CID 141126220
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-(pyrimidin-5-ylcarbamoylamino)phenyl]acetic acid
CID 107589141
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-(2-methylbut-3-yn-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350091
2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
CID 106340736
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
CID 134123018

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride (CID 70623172) is 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride is CNC(=O)Nc1cccc(CC(=O)O)c1.Cl.
What is the InChIKey of 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride?
The InChIKey is UOSMXDVNMFWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.ClH/c1-11-10(15)12-8-4-2-3-7(5-8)6-9(13)14;/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15);1H.
What are the key properties of 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride?
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 70623172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).