3-methoxybutylcarbamic acid

C6H13NO3 — CID 19018222

IUPAC3-methoxybutylcarbamic acid
SMILESCOC(C)CCNC(=O)O
InChIInChI=1S/C6H13NO3/c1-5(10-2)3-4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyAEPGVHXICWUYAK-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.68
Rot. Bonds4

About 3-methoxybutylcarbamic acid

3-methoxybutylcarbamic acid (PubChem CID 19018222) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-methoxybutylcarbamic acid.

Molecular Properties

Compound Name3-methoxybutylcarbamic acid
PubChem CID19018222
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-methoxybutylcarbamic acid
SMILESCOC(C)CCNC(=O)O
InChIInChI=1S/C6H13NO3/c1-5(10-2)3-4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyAEPGVHXICWUYAK-UHFFFAOYSA-N
XLogP0.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybutylcarbamic acid?
The IUPAC name of 3-methoxybutylcarbamic acid (CID 19018222) is 3-methoxybutylcarbamic acid.
What is the SMILES notation for 3-methoxybutylcarbamic acid?
The canonical SMILES for 3-methoxybutylcarbamic acid is COC(C)CCNC(=O)O.
What is the InChIKey of 3-methoxybutylcarbamic acid?
The InChIKey is AEPGVHXICWUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(10-2)3-4-7-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-methoxybutylcarbamic acid?
3-methoxybutylcarbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutylcarbamic acid is sourced from PubChem (CID 19018222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).