formyl(propyl)carbamic acid

C5H9NO3 — CID 21444738

IUPACformyl(propyl)carbamic acid
SMILESCCCN(C=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-2-3-6(4-7)5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyIPAMTHJNOMXFIK-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.53
Rot. Bonds3

About formyl(propyl)carbamic acid

formyl(propyl)carbamic acid (PubChem CID 21444738) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is formyl(propyl)carbamic acid.

Molecular Properties

Compound Nameformyl(propyl)carbamic acid
PubChem CID21444738
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameformyl(propyl)carbamic acid
SMILESCCCN(C=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-2-3-6(4-7)5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyIPAMTHJNOMXFIK-UHFFFAOYSA-N
XLogP0.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl(propyl)carbamic acid?
The IUPAC name of formyl(propyl)carbamic acid (CID 21444738) is formyl(propyl)carbamic acid.
What is the SMILES notation for formyl(propyl)carbamic acid?
The canonical SMILES for formyl(propyl)carbamic acid is CCCN(C=O)C(=O)O.
What is the InChIKey of formyl(propyl)carbamic acid?
The InChIKey is IPAMTHJNOMXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-3-6(4-7)5(8)9/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of formyl(propyl)carbamic acid?
formyl(propyl)carbamic acid has a molecular weight of 131.13 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl(propyl)carbamic acid is sourced from PubChem (CID 21444738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).