methyl N-(3-aminooxypropyl)carbamate

C5H12N2O3 — CID 59658343

IUPACmethyl N-(3-aminooxypropyl)carbamate
SMILESCOC(=O)NCCCON
InChIInChI=1S/C5H12N2O3/c1-9-5(8)7-3-2-4-10-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyIBGADKRRNKBXNY-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.38
Rot. Bonds4

About methyl N-(3-aminooxypropyl)carbamate

methyl N-(3-aminooxypropyl)carbamate (PubChem CID 59658343) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is methyl N-(3-aminooxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-aminooxypropyl)carbamate
PubChem CID59658343
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Namemethyl N-(3-aminooxypropyl)carbamate
SMILESCOC(=O)NCCCON
InChIInChI=1S/C5H12N2O3/c1-9-5(8)7-3-2-4-10-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyIBGADKRRNKBXNY-UHFFFAOYSA-N
XLogP-0.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[(5S)-11-aminooxy-1-(methoxycarbonylamino)-6-oxoundecan-5-yl]carbamate
CID 158264935
methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
CID 146507765
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
methyl 2-chloro-6-(methoxycarbonylamino)hexanoate
CID 131859175
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
6-(methoxycarbonylamino)hexanoic acid
CID 22382374

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-aminooxypropyl)carbamate?
The IUPAC name of methyl N-(3-aminooxypropyl)carbamate (CID 59658343) is methyl N-(3-aminooxypropyl)carbamate.
What is the SMILES notation for methyl N-(3-aminooxypropyl)carbamate?
The canonical SMILES for methyl N-(3-aminooxypropyl)carbamate is COC(=O)NCCCON.
What is the InChIKey of methyl N-(3-aminooxypropyl)carbamate?
The InChIKey is IBGADKRRNKBXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-9-5(8)7-3-2-4-10-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of methyl N-(3-aminooxypropyl)carbamate?
methyl N-(3-aminooxypropyl)carbamate has a molecular weight of 148.16 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-aminooxypropyl)carbamate is sourced from PubChem (CID 59658343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).