3-hydroxybutylcarbamic acid

C5H11NO3 — CID 87311952

IUPAC3-hydroxybutylcarbamic acid
SMILESCC(O)CCNC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(7)2-3-6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyRISFVDBIKNZMCD-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.02
Rot. Bonds3

About 3-hydroxybutylcarbamic acid

3-hydroxybutylcarbamic acid (PubChem CID 87311952) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-hydroxybutylcarbamic acid.

Molecular Properties

Compound Name3-hydroxybutylcarbamic acid
PubChem CID87311952
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-hydroxybutylcarbamic acid
SMILESCC(O)CCNC(=O)O
InChIInChI=1S/C5H11NO3/c1-4(7)2-3-6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyRISFVDBIKNZMCD-UHFFFAOYSA-N
XLogP0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutylcarbamic acid?
The IUPAC name of 3-hydroxybutylcarbamic acid (CID 87311952) is 3-hydroxybutylcarbamic acid.
What is the SMILES notation for 3-hydroxybutylcarbamic acid?
The canonical SMILES for 3-hydroxybutylcarbamic acid is CC(O)CCNC(=O)O.
What is the InChIKey of 3-hydroxybutylcarbamic acid?
The InChIKey is RISFVDBIKNZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(7)2-3-6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-hydroxybutylcarbamic acid?
3-hydroxybutylcarbamic acid has a molecular weight of 133.15 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutylcarbamic acid is sourced from PubChem (CID 87311952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).