tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate

C11H21ClN2O2 — CID 130774480

IUPACtert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
SMILESC=C(Cl)CNC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21ClN2O2/c1-8(12)6-13-7-9(2)14-10(15)16-11(3,4)5/h9,13H,1,6-7H2,2-5H3,(H,14,15)/t9-/m1/s1
InChIKeyJIECBOAOZMTIQD-SECBINFHSA-N
MW248.75 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate (PubChem CID 130774480) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
PubChem CID130774480
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
SMILESC=C(Cl)CNC[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21ClN2O2/c1-8(12)6-13-7-9(2)14-10(15)16-11(3,4)5/h9,13H,1,6-7H2,2-5H3,(H,14,15)/t9-/m1/s1
InChIKeyJIECBOAOZMTIQD-SECBINFHSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]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

tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
CID 178200147
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
(2S)-4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 125449258
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
CID 21030199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate (CID 130774480) is tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate is C=C(Cl)CNC[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate?
The InChIKey is JIECBOAOZMTIQD-SECBINFHSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c1-8(12)6-13-7-9(2)14-10(15)16-11(3,4)5/h9,13H,1,6-7H2,2-5H3,(H,14,15)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate has a molecular weight of 248.75 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate is sourced from PubChem (CID 130774480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).