3-hydroxypropylcarbamic acid

C4H9NO3 — CID 21150270

IUPAC3-hydroxypropylcarbamic acid
SMILESO=C(O)NCCCO
InChIInChI=1S/C4H9NO3/c6-3-1-2-5-4(7)8/h5-6H,1-3H2,(H,7,8)
InChIKeyIFVNEJLHHCHXGX-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.36
Rot. Bonds3

About 3-hydroxypropylcarbamic acid

3-hydroxypropylcarbamic acid (PubChem CID 21150270) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-hydroxypropylcarbamic acid.

Molecular Properties

Compound Name3-hydroxypropylcarbamic acid
PubChem CID21150270
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name3-hydroxypropylcarbamic acid
SMILESO=C(O)NCCCO
InChIInChI=1S/C4H9NO3/c6-3-1-2-5-4(7)8/h5-6H,1-3H2,(H,7,8)
InChIKeyIFVNEJLHHCHXGX-UHFFFAOYSA-N
XLogP-0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropylcarbamic acid?
The IUPAC name of 3-hydroxypropylcarbamic acid (CID 21150270) is 3-hydroxypropylcarbamic acid.
What is the SMILES notation for 3-hydroxypropylcarbamic acid?
The canonical SMILES for 3-hydroxypropylcarbamic acid is O=C(O)NCCCO.
What is the InChIKey of 3-hydroxypropylcarbamic acid?
The InChIKey is IFVNEJLHHCHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c6-3-1-2-5-4(7)8/h5-6H,1-3H2,(H,7,8).
What are the key properties of 3-hydroxypropylcarbamic acid?
3-hydroxypropylcarbamic acid has a molecular weight of 119.12 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropylcarbamic acid is sourced from PubChem (CID 21150270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).