N-(4-oxobutyl)carbamate

C5H8NO3- — CID 18436941

IUPACN-(4-oxobutyl)carbamate
SMILESO=CCCCNC(=O)[O-]
InChIInChI=1S/C5H9NO3/c7-4-2-1-3-6-5(8)9/h4,6H,1-3H2,(H,8,9)/p-1
InChIKeyMKFFYSXIRQMYKC-UHFFFAOYSA-M
MW130.12 g/mol
LogP-1.10
Rot. Bonds4

About N-(4-oxobutyl)carbamate

N-(4-oxobutyl)carbamate (PubChem CID 18436941) has the molecular formula C5H8NO3- and a molecular weight of 130.12 g/mol. Its IUPAC name is N-(4-oxobutyl)carbamate.

Molecular Properties

Compound NameN-(4-oxobutyl)carbamate
PubChem CID18436941
Molecular FormulaC5H8NO3-
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC NameN-(4-oxobutyl)carbamate
SMILESO=CCCCNC(=O)[O-]
InChIInChI=1S/C5H9NO3/c7-4-2-1-3-6-5(8)9/h4,6H,1-3H2,(H,8,9)/p-1
InChIKeyMKFFYSXIRQMYKC-UHFFFAOYSA-M
XLogP-1.10
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-azaniumylbutyl)carbamate
CID 119096052
N-(5-oxopentyl)prop-2-ynamide
CID 166777638
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
2-amino-5-oxo-5-(4-oxobutylamino)pentanoate
CID 165361804
sodium N-dodecylcarbamate
CID 141389395
1-(4-methyl-3-oxopent-4-enyl)-3-(4-oxobutyl)urea
CID 151059749
N-[2-(2,2-dimethylpropylamino)ethyl]carbamate
CID 23156307
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
9-oxononanoate
CID 21270557
copper bis(6-oxohexanoate)
CID 88811227
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827

Frequently Asked Questions

What is the IUPAC name of N-(4-oxobutyl)carbamate?
The IUPAC name of N-(4-oxobutyl)carbamate (CID 18436941) is N-(4-oxobutyl)carbamate.
What is the SMILES notation for N-(4-oxobutyl)carbamate?
The canonical SMILES for N-(4-oxobutyl)carbamate is O=CCCCNC(=O)[O-].
What is the InChIKey of N-(4-oxobutyl)carbamate?
The InChIKey is MKFFYSXIRQMYKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3/c7-4-2-1-3-6-5(8)9/h4,6H,1-3H2,(H,8,9)/p-1.
What are the key properties of N-(4-oxobutyl)carbamate?
N-(4-oxobutyl)carbamate has a molecular weight of 130.12 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxobutyl)carbamate is sourced from PubChem (CID 18436941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).