2-[3-(methoxycarbonylamino)phenyl]acetic acid

C10H11NO4 — CID 21387794

IUPAC2-[3-(methoxycarbonylamino)phenyl]acetic acid
SMILESCOC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)11-8-4-2-3-7(5-8)6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyIWGFRWGVSNQONS-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.49
Rot. Bonds3

About 2-[3-(methoxycarbonylamino)phenyl]acetic acid

2-[3-(methoxycarbonylamino)phenyl]acetic acid (PubChem CID 21387794) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[3-(methoxycarbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methoxycarbonylamino)phenyl]acetic acid
PubChem CID21387794
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[3-(methoxycarbonylamino)phenyl]acetic acid
SMILESCOC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H11NO4/c1-15-10(14)11-8-4-2-3-7(5-8)6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyIWGFRWGVSNQONS-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(butoxycarbonylamino)phenyl]acetic acid
CID 70264268
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
CID 149287034
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
methyl N-[3-(2-aminooxyethyl)phenyl]carbamate
CID 117300253
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxycarbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(methoxycarbonylamino)phenyl]acetic acid (CID 21387794) is 2-[3-(methoxycarbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(methoxycarbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(methoxycarbonylamino)phenyl]acetic acid is COC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(methoxycarbonylamino)phenyl]acetic acid?
The InChIKey is IWGFRWGVSNQONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-10(14)11-8-4-2-3-7(5-8)6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[3-(methoxycarbonylamino)phenyl]acetic acid?
2-[3-(methoxycarbonylamino)phenyl]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxycarbonylamino)phenyl]acetic acid is sourced from PubChem (CID 21387794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).