4-nonanoyloxybutylcarbamic acid

C14H27NO4 — CID 57088848

IUPAC4-nonanoyloxybutylcarbamic acid
SMILESCCCCCCCCC(=O)OCCCCNC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-10-13(16)19-12-9-8-11-15-14(17)18/h15H,2-12H2,1H3,(H,17,18)
InChIKeyMWJLDQZEGOLBLK-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.33
Rot. Bonds12

About 4-nonanoyloxybutylcarbamic acid

4-nonanoyloxybutylcarbamic acid (PubChem CID 57088848) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-nonanoyloxybutylcarbamic acid.

Molecular Properties

Compound Name4-nonanoyloxybutylcarbamic acid
PubChem CID57088848
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-nonanoyloxybutylcarbamic acid
SMILESCCCCCCCCC(=O)OCCCCNC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-10-13(16)19-12-9-8-11-15-14(17)18/h15H,2-12H2,1H3,(H,17,18)
InChIKeyMWJLDQZEGOLBLK-UHFFFAOYSA-N
XLogP3.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.33
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

4-decanoyloxybutylcarbamic acid
CID 57087634
(6-oxo-6-tetradecoxyhexyl)carbamic acid;tetradecyl 6-aminohexanoate
CID 173280920
dodecyl 6-acetamidohexanoate
CID 21259378
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
octadecyl 12-[(12-octadecoxy-12-oxododecyl)carbamoylcarbamoylamino]dodecanoate
CID 173404500
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836

Frequently Asked Questions

What is the IUPAC name of 4-nonanoyloxybutylcarbamic acid?
The IUPAC name of 4-nonanoyloxybutylcarbamic acid (CID 57088848) is 4-nonanoyloxybutylcarbamic acid.
What is the SMILES notation for 4-nonanoyloxybutylcarbamic acid?
The canonical SMILES for 4-nonanoyloxybutylcarbamic acid is CCCCCCCCC(=O)OCCCCNC(=O)O.
What is the InChIKey of 4-nonanoyloxybutylcarbamic acid?
The InChIKey is MWJLDQZEGOLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-10-13(16)19-12-9-8-11-15-14(17)18/h15H,2-12H2,1H3,(H,17,18).
What are the key properties of 4-nonanoyloxybutylcarbamic acid?
4-nonanoyloxybutylcarbamic acid has a molecular weight of 273.37 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonanoyloxybutylcarbamic acid is sourced from PubChem (CID 57088848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).