3-(3-hydroxypropoxy)propylcarbamic acid

C7H15NO4 — CID 155251053

IUPAC3-(3-hydroxypropoxy)propylcarbamic acid
SMILESO=C(O)NCCCOCCCO
InChIInChI=1S/C7H15NO4/c9-4-2-6-12-5-1-3-8-7(10)11/h8-9H,1-6H2,(H,10,11)
InChIKeySVMJIIDLHGRGLG-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.04
Rot. Bonds7

About 3-(3-hydroxypropoxy)propylcarbamic acid

3-(3-hydroxypropoxy)propylcarbamic acid (PubChem CID 155251053) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(3-hydroxypropoxy)propylcarbamic acid.

Molecular Properties

Compound Name3-(3-hydroxypropoxy)propylcarbamic acid
PubChem CID155251053
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-(3-hydroxypropoxy)propylcarbamic acid
SMILESO=C(O)NCCCOCCCO
InChIInChI=1S/C7H15NO4/c9-4-2-6-12-5-1-3-8-7(10)11/h8-9H,1-6H2,(H,10,11)
InChIKeySVMJIIDLHGRGLG-UHFFFAOYSA-N
XLogP0.04
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxypropoxy)propylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162306513
CID 162306513
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998
4-[2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butylcarbamic acid
CID 155047976
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
6-(2-hydroxyethylamino)hexylcarbamic acid
CID 18423740
acetic acid;3-butoxypropan-1-ol
CID 71441465
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropoxy)propylcarbamic acid?
The IUPAC name of 3-(3-hydroxypropoxy)propylcarbamic acid (CID 155251053) is 3-(3-hydroxypropoxy)propylcarbamic acid.
What is the SMILES notation for 3-(3-hydroxypropoxy)propylcarbamic acid?
The canonical SMILES for 3-(3-hydroxypropoxy)propylcarbamic acid is O=C(O)NCCCOCCCO.
What is the InChIKey of 3-(3-hydroxypropoxy)propylcarbamic acid?
The InChIKey is SVMJIIDLHGRGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c9-4-2-6-12-5-1-3-8-7(10)11/h8-9H,1-6H2,(H,10,11).
What are the key properties of 3-(3-hydroxypropoxy)propylcarbamic acid?
3-(3-hydroxypropoxy)propylcarbamic acid has a molecular weight of 177.20 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropoxy)propylcarbamic acid is sourced from PubChem (CID 155251053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).