benzyl(methoxymethyl)carbamic acid

C10H13NO3 — CID 67355531

IUPACbenzyl(methoxymethyl)carbamic acid
SMILESCOCN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-8-11(10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyRRLVLOHRNYEXPP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.77
Rot. Bonds4

About benzyl(methoxymethyl)carbamic acid

benzyl(methoxymethyl)carbamic acid (PubChem CID 67355531) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is benzyl(methoxymethyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(methoxymethyl)carbamic acid
PubChem CID67355531
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namebenzyl(methoxymethyl)carbamic acid
SMILESCOCN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-14-8-11(10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyRRLVLOHRNYEXPP-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(111C)methyl N,N-dibenzylcarbamate
CID 10106358
N-(methoxymethyl)-N-(2-phenylethyl)acetamide
CID 102037583
benzyl-(2-bromo-2-methoxyethyl)carbamic acid
CID 68692716
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
benzyl(3,3-dimethoxypropyl)carbamic acid
CID 162786149
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458

Frequently Asked Questions

What is the IUPAC name of benzyl(methoxymethyl)carbamic acid?
The IUPAC name of benzyl(methoxymethyl)carbamic acid (CID 67355531) is benzyl(methoxymethyl)carbamic acid.
What is the SMILES notation for benzyl(methoxymethyl)carbamic acid?
The canonical SMILES for benzyl(methoxymethyl)carbamic acid is COCN(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl(methoxymethyl)carbamic acid?
The InChIKey is RRLVLOHRNYEXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-8-11(10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of benzyl(methoxymethyl)carbamic acid?
benzyl(methoxymethyl)carbamic acid has a molecular weight of 195.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(methoxymethyl)carbamic acid is sourced from PubChem (CID 67355531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).