propan-2-ylcarbamic acid

C4H9NO2 — CID 504238

IUPACpropan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O
InChIInChI=1S/C4H9NO2/c1-3(2)5-4(6)7/h3,5H,1-2H3,(H,6,7)
InChIKeyKNTZCGBYFGEMFR-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.66
Rot. Bonds1

About propan-2-ylcarbamic acid

propan-2-ylcarbamic acid (PubChem CID 504238) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is propan-2-ylcarbamic acid.

Molecular Properties

Compound Namepropan-2-ylcarbamic acid
PubChem CID504238
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepropan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O
InChIInChI=1S/C4H9NO2/c1-3(2)5-4(6)7/h3,5H,1-2H3,(H,6,7)
InChIKeyKNTZCGBYFGEMFR-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
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 propan-2-ylcarbamic acid?
The IUPAC name of propan-2-ylcarbamic acid (CID 504238) is propan-2-ylcarbamic acid.
What is the SMILES notation for propan-2-ylcarbamic acid?
The canonical SMILES for propan-2-ylcarbamic acid is CC(C)NC(=O)O.
What is the InChIKey of propan-2-ylcarbamic acid?
The InChIKey is KNTZCGBYFGEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(2)5-4(6)7/h3,5H,1-2H3,(H,6,7).
What are the key properties of propan-2-ylcarbamic acid?
propan-2-ylcarbamic acid has a molecular weight of 103.12 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcarbamic acid is sourced from PubChem (CID 504238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).