2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid

C10H13NO4 — CID 174214574

IUPAC2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1ccc(CCNC(=O)O)cc1O
InChIInChI=1S/C10H13NO4/c1-15-9-3-2-7(6-8(9)12)4-5-11-10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyKUJOBBGZQSVSEA-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.21
Rot. Bonds4

About 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid

2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid (PubChem CID 174214574) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
PubChem CID174214574
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1ccc(CCNC(=O)O)cc1O
InChIInChI=1S/C10H13NO4/c1-15-9-3-2-7(6-8(9)12)4-5-11-10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyKUJOBBGZQSVSEA-UHFFFAOYSA-N
XLogP1.21
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
CID 163093777
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid (CID 174214574) is 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid is COc1ccc(CCNC(=O)O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid?
The InChIKey is KUJOBBGZQSVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-9-3-2-7(6-8(9)12)4-5-11-10(13)14/h2-3,6,11-12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid?
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid is sourced from PubChem (CID 174214574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).