tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate

C10H19FN2O3 — CID 86634504

IUPACtert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCF
InChIInChI=1S/C10H19FN2O3/c1-10(2,3)16-9(15)13-6-4-8(14)12-7-5-11/h4-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGWBZCWFBNVXRKO-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.99
Rot. Bonds5

About tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate

tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate (PubChem CID 86634504) has the molecular formula C10H19FN2O3 and a molecular weight of 234.27 g/mol. Its IUPAC name is tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate
PubChem CID86634504
Molecular FormulaC10H19FN2O3
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCF
InChIInChI=1S/C10H19FN2O3/c1-10(2,3)16-9(15)13-6-4-8(14)12-7-5-11/h4-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGWBZCWFBNVXRKO-UHFFFAOYSA-N
XLogP0.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3-aminopropyl)carbamate
CID 2735700
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
tert-butyl N-(2-(methoxy(methyl)carbamoyl)ethyl)carbamate
CID 10823469
3-(3-{[(Tert-butoxy)carbonyl]amino}propanamido)propanoic acid
CID 11425445
tert-butyl N-{3-[(3-aminopropyl)(methyl)amino]propyl}carbamate
CID 12983660
Carbamic acid, (3-amino-2-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester
CID 23446090
tert-butyl N-[3-(2-aminoacetamido)propyl]carbamate
CID 23591745
tert-Butyl (3-fluoropropyl)carbamate
CID 45092379
tert-butyl N-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}carbamate
CID 51211469
N-[3-(Acetylamino)propyl]-carbamic acid 1,1-dimethylethyl ester
CID 57635730
tert-butyl N-(3-{[3-(dimethylamino)propyl]amino}propyl)carbamate
CID 81739995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate (CID 86634504) is tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCCF.
What is the InChIKey of tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate?
The InChIKey is GWBZCWFBNVXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3/c1-10(2,3)16-9(15)13-6-4-8(14)12-7-5-11/h4-7H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate has a molecular weight of 234.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-fluoroethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 86634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).