tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate

C12H19ClN2O3 — CID 83694071

IUPACtert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)c1ccc(Cl)o1
InChIInChI=1S/C12H19ClN2O3/c1-12(2,3)18-11(16)15-8(6-7-14)9-4-5-10(13)17-9/h4-5,8H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyGOYYXJNSPUDWFH-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate

tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate (PubChem CID 83694071) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
PubChem CID83694071
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Nametert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN)c1ccc(Cl)o1
InChIInChI=1S/C12H19ClN2O3/c1-12(2,3)18-11(16)15-8(6-7-14)9-4-5-10(13)17-9/h4-5,8H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyGOYYXJNSPUDWFH-UHFFFAOYSA-N
XLogP2.85
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
CID 146479429
tert-butyl N-[1-(5-propan-2-ylfuran-2-yl)butyl]carbamate
CID 11492885
tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenyl)ethyl]carbamate
CID 175124964
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
CID 134857276
tert-butyl N-[1-(5-bromofuran-2-yl)-2-methylsulfinylethyl]carbamate
CID 143839197
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
(4S)-4-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonic acid
CID 141235325
tert-butyl N-[(1S)-1-(3,4-dichlorophenyl)-3-hydroxypropyl]carbamate
CID 27281740
tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
CID 114553832
tert-butyl N-[4-amino-1-(4-aminophenyl)-1-hydroxybutan-2-yl]carbamate
CID 83928424
tert-butyl N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]carbamate
CID 70105453
tert-butyl N-[(1S)-1-(2-bromo-4-chlorophenyl)propyl]carbamate
CID 162342831

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate (CID 83694071) is tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NC(CCN)c1ccc(Cl)o1.
What is the InChIKey of tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate?
The InChIKey is GOYYXJNSPUDWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-12(2,3)18-11(16)15-8(6-7-14)9-4-5-10(13)17-9/h4-5,8H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate?
tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate has a molecular weight of 274.75 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-1-(5-chlorofuran-2-yl)propyl]carbamate is sourced from PubChem (CID 83694071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).