5-acetyloxypentylcarbamic acid

C8H15NO4 — CID 151401165

IUPAC5-acetyloxypentylcarbamic acid
SMILESCC(=O)OCCCCCNC(=O)O
InChIInChI=1S/C8H15NO4/c1-7(10)13-6-4-2-3-5-9-8(11)12/h9H,2-6H2,1H3,(H,11,12)
InChIKeyOWMZZGUYAAHQLX-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.99
Rot. Bonds6

About 5-acetyloxypentylcarbamic acid

5-acetyloxypentylcarbamic acid (PubChem CID 151401165) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-acetyloxypentylcarbamic acid.

Molecular Properties

Compound Name5-acetyloxypentylcarbamic acid
PubChem CID151401165
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-acetyloxypentylcarbamic acid
SMILESCC(=O)OCCCCCNC(=O)O
InChIInChI=1S/C8H15NO4/c1-7(10)13-6-4-2-3-5-9-8(11)12/h9H,2-6H2,1H3,(H,11,12)
InChIKeyOWMZZGUYAAHQLX-UHFFFAOYSA-N
XLogP0.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-acetyloxyundecyl acetate
CID 87784419
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
4-nonanoyloxybutylcarbamic acid
CID 57088848
5-(6-aminohexanoylamino)pentyl acetate
CID 88949115
4-decanoyloxybutylcarbamic acid
CID 57087634
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
acetic acid;octyl acetate
CID 87556300
13-acetyloxytridecanoic acid
CID 10084643
22-acetyloxydocosanoic acid
CID 91481566
4-trimethylsilyloxybutylcarbamic acid
CID 87814619
(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
CID 173280920

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxypentylcarbamic acid?
The IUPAC name of 5-acetyloxypentylcarbamic acid (CID 151401165) is 5-acetyloxypentylcarbamic acid.
What is the SMILES notation for 5-acetyloxypentylcarbamic acid?
The canonical SMILES for 5-acetyloxypentylcarbamic acid is CC(=O)OCCCCCNC(=O)O.
What is the InChIKey of 5-acetyloxypentylcarbamic acid?
The InChIKey is OWMZZGUYAAHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(10)13-6-4-2-3-5-9-8(11)12/h9H,2-6H2,1H3,(H,11,12).
What are the key properties of 5-acetyloxypentylcarbamic acid?
5-acetyloxypentylcarbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxypentylcarbamic acid is sourced from PubChem (CID 151401165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).