2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid

C11H13NO5 — CID 22707097

IUPAC2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOC(=O)NC(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO5/c1-16-8-5-3-4-7(6-8)9(10(13)14)12-11(15)17-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)
InChIKeyCSNCHEVKUIPVLM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.18
Rot. Bonds4

About 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid

2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid (PubChem CID 22707097) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
PubChem CID22707097
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOC(=O)NC(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO5/c1-16-8-5-3-4-7(6-8)9(10(13)14)12-11(15)17-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14)
InChIKeyCSNCHEVKUIPVLM-UHFFFAOYSA-N
XLogP1.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)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-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
CID 178099809
methyl (Z)-3-(benzylamino)-2-[(S)-(methoxycarbonylamino)-(3-methoxyphenyl)methyl]but-2-enoate
CID 24750118
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 136552069
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
(2S)-2-(3-methoxyphenyl)-2-[(2-methyloxane-3-carbonyl)amino]acetic acid
CID 136583903
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid (CID 22707097) is 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid is COC(=O)NC(C(=O)O)c1cccc(OC)c1.
What is the InChIKey of 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid?
The InChIKey is CSNCHEVKUIPVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-16-8-5-3-4-7(6-8)9(10(13)14)12-11(15)17-2/h3-6,9H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid?
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid has a molecular weight of 239.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 22707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).