N-(4-azaniumylbutyl)carbamate

C5H12N2O2 — CID 119096052

IUPACN-(4-azaniumylbutyl)carbamate
SMILES[NH3+]CCCCNC(=O)[O-]
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4-7-5(8)9/h7H,1-4,6H2,(H,8,9)
InChIKeyWGPZNNKPLJPQAL-UHFFFAOYSA-N
MW132.16 g/mol
LogP-2.06
Rot. Bonds4

About N-(4-azaniumylbutyl)carbamate

N-(4-azaniumylbutyl)carbamate (PubChem CID 119096052) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is N-(4-azaniumylbutyl)carbamate.

Molecular Properties

Compound NameN-(4-azaniumylbutyl)carbamate
PubChem CID119096052
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC NameN-(4-azaniumylbutyl)carbamate
SMILES[NH3+]CCCCNC(=O)[O-]
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4-7-5(8)9/h7H,1-4,6H2,(H,8,9)
InChIKeyWGPZNNKPLJPQAL-UHFFFAOYSA-N
XLogP-2.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-azaniumylbutyl)carbamate 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

N-(4-oxobutyl)carbamate
CID 18436941
sodium N-dodecylcarbamate
CID 141389395
N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
CID 161491440
N-(5-hydroxyphosphanyloxypentyl)carbamate
CID 162069255
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
pentadecylazanium;(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-6-(pentadecylamino)hexanoate
CID 142553465
17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate
CID 177027395
6-(heptanoylamino)hexylazanium
CID 164842773
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(Z)-4-(butylamino)-4-oxobut-2-enoate;butylazanium
CID 155723677
2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]acetate
CID 7022319

Frequently Asked Questions

What is the IUPAC name of N-(4-azaniumylbutyl)carbamate?
The IUPAC name of N-(4-azaniumylbutyl)carbamate (CID 119096052) is N-(4-azaniumylbutyl)carbamate.
What is the SMILES notation for N-(4-azaniumylbutyl)carbamate?
The canonical SMILES for N-(4-azaniumylbutyl)carbamate is [NH3+]CCCCNC(=O)[O-].
What is the InChIKey of N-(4-azaniumylbutyl)carbamate?
The InChIKey is WGPZNNKPLJPQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-3-1-2-4-7-5(8)9/h7H,1-4,6H2,(H,8,9).
What are the key properties of N-(4-azaniumylbutyl)carbamate?
N-(4-azaniumylbutyl)carbamate has a molecular weight of 132.16 g/mol, XLogP of -2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azaniumylbutyl)carbamate is sourced from PubChem (CID 119096052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).