(3-hydroxypropylamino)carbamic acid

C4H10N2O3 — CID 151986336

IUPAC(3-hydroxypropylamino)carbamic acid
SMILESO=C(O)NNCCCO
InChIInChI=1S/C4H10N2O3/c7-3-1-2-5-6-4(8)9/h5-7H,1-3H2,(H,8,9)
InChIKeyUDSSKHZCROIWGV-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.86
Rot. Bonds4

About (3-hydroxypropylamino)carbamic acid

(3-hydroxypropylamino)carbamic acid (PubChem CID 151986336) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is (3-hydroxypropylamino)carbamic acid.

Molecular Properties

Compound Name(3-hydroxypropylamino)carbamic acid
PubChem CID151986336
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Name(3-hydroxypropylamino)carbamic acid
SMILESO=C(O)NNCCCO
InChIInChI=1S/C4H10N2O3/c7-3-1-2-5-6-4(8)9/h5-7H,1-3H2,(H,8,9)
InChIKeyUDSSKHZCROIWGV-UHFFFAOYSA-N
XLogP-0.86
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypropylamino)carbamic acid?
The IUPAC name of (3-hydroxypropylamino)carbamic acid (CID 151986336) is (3-hydroxypropylamino)carbamic acid.
What is the SMILES notation for (3-hydroxypropylamino)carbamic acid?
The canonical SMILES for (3-hydroxypropylamino)carbamic acid is O=C(O)NNCCCO.
What is the InChIKey of (3-hydroxypropylamino)carbamic acid?
The InChIKey is UDSSKHZCROIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3/c7-3-1-2-5-6-4(8)9/h5-7H,1-3H2,(H,8,9).
What are the key properties of (3-hydroxypropylamino)carbamic acid?
(3-hydroxypropylamino)carbamic acid has a molecular weight of 134.14 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypropylamino)carbamic acid is sourced from PubChem (CID 151986336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).