phosphono N-butylcarbamate

C5H12NO5P — CID 154142807

IUPACphosphono N-butylcarbamate
SMILESCCCCNC(=O)OP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-2-3-4-6-5(7)11-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySVWJMIKNKSGDPS-UHFFFAOYSA-N
MW197.13 g/mol
LogP0.61
Rot. Bonds4

About phosphono N-butylcarbamate

phosphono N-butylcarbamate (PubChem CID 154142807) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is phosphono N-butylcarbamate.

Molecular Properties

Compound Namephosphono N-butylcarbamate
PubChem CID154142807
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Namephosphono N-butylcarbamate
SMILESCCCCNC(=O)OP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-2-3-4-6-5(7)11-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySVWJMIKNKSGDPS-UHFFFAOYSA-N
XLogP0.61
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphono N-ethylcarbamate
CID 88705839
phosphanyl N-butylcarbamate
CID 89204581
aminomethyl N-butylcarbamate
CID 139491046
prop-1-ynyl N-butylcarbamate
CID 22253646
tert-butyl N-butylcarbamate;methane
CID 153346289
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
methyl N-nonylcarbamate
CID 5102101
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
nonylcarbamoperoxoic acid
CID 140999734
amino N-pentylcarbamate
CID 87397923
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
2-iodopropyl N-butylcarbamate
CID 175153431

Frequently Asked Questions

What is the IUPAC name of phosphono N-butylcarbamate?
The IUPAC name of phosphono N-butylcarbamate (CID 154142807) is phosphono N-butylcarbamate.
What is the SMILES notation for phosphono N-butylcarbamate?
The canonical SMILES for phosphono N-butylcarbamate is CCCCNC(=O)OP(=O)(O)O.
What is the InChIKey of phosphono N-butylcarbamate?
The InChIKey is SVWJMIKNKSGDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-2-3-4-6-5(7)11-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of phosphono N-butylcarbamate?
phosphono N-butylcarbamate has a molecular weight of 197.13 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono N-butylcarbamate is sourced from PubChem (CID 154142807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).