propylcarbamic acid

C4H9NO2 — CID 14201686

IUPACpropylcarbamic acid
SMILESCCCNC(=O)O
InChIInChI=1S/C4H9NO2/c1-2-3-5-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyKBJXDTIYSSQJAI-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.66
Rot. Bonds2

About propylcarbamic acid

propylcarbamic acid (PubChem CID 14201686) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is propylcarbamic acid.

Molecular Properties

Compound Namepropylcarbamic acid
PubChem CID14201686
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepropylcarbamic acid
SMILESCCCNC(=O)O
InChIInChI=1S/C4H9NO2/c1-2-3-5-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyKBJXDTIYSSQJAI-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propylcarbamic acid?
The IUPAC name of propylcarbamic acid (CID 14201686) is propylcarbamic acid.
What is the SMILES notation for propylcarbamic acid?
The canonical SMILES for propylcarbamic acid is CCCNC(=O)O.
What is the InChIKey of propylcarbamic acid?
The InChIKey is KBJXDTIYSSQJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-3-5-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of propylcarbamic acid?
propylcarbamic acid has a molecular weight of 103.12 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylcarbamic acid is sourced from PubChem (CID 14201686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).