benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate

C14H20N2O2 — CID 168763212

IUPACbenzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
SMILESNC1(CCCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c15-14(8-9-14)7-4-10-16-13(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyFBKLTPOHHBZMJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.18
Rot. Bonds6

About benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate

benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate (PubChem CID 168763212) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
PubChem CID168763212
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
SMILESNC1(CCCNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c15-14(8-9-14)7-4-10-16-13(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyFBKLTPOHHBZMJA-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.18
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

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
cis-(1R,2S)-1-[3-(phenylmethoxycarbonylamino)propyl]-2-sulfanylcyclopentane-1-carboxylic acid
CID 123426633
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(4-isocyanobutyl)carbamate
CID 66524029
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate?
The IUPAC name of benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate (CID 168763212) is benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate?
The canonical SMILES for benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate is NC1(CCCNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate?
The InChIKey is FBKLTPOHHBZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(8-9-14)7-4-10-16-13(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17).
What are the key properties of benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate?
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate is sourced from PubChem (CID 168763212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).