2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid

C12H16N2O5 — CID 82501882

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
SMILESCOc1cc(C)c(NC(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C12H16N2O5/c1-7-4-9(18-2)10(19-3)5-8(7)14-12(17)13-6-11(15)16/h4-5H,6H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyHNSKINGIYPEBIA-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.22
Rot. Bonds5

About 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid

2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid (PubChem CID 82501882) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
PubChem CID82501882
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
SMILESCOc1cc(C)c(NC(=O)NCC(=O)O)cc1OC
InChIInChI=1S/C12H16N2O5/c1-7-4-9(18-2)10(19-3)5-8(7)14-12(17)13-6-11(15)16/h4-5H,6H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyHNSKINGIYPEBIA-UHFFFAOYSA-N
XLogP1.22
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
3-amino-4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoic acid
CID 64895496
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 62871905
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
CID 82501431
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid (CID 82501882) is 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid is COc1cc(C)c(NC(=O)NCC(=O)O)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is HNSKINGIYPEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-4-9(18-2)10(19-3)5-8(7)14-12(17)13-6-11(15)16/h4-5H,6H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid?
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82501882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).