tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride

C11H23ClN2O2 — CID 68943833

IUPACtert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
SMILESC[C@@H](CNC1CC1)NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(7-12-9-5-6-9)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyPWQJQOIWJZSHKP-QRPNPIFTSA-N
MW250.77 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride

tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride (PubChem CID 68943833) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
PubChem CID68943833
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
SMILESC[C@@H](CNC1CC1)NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(7-12-9-5-6-9)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/t8-;/m0./s1
InChIKeyPWQJQOIWJZSHKP-QRPNPIFTSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride 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-[1-(thietan-3-ylamino)propan-2-yl]carbamate
CID 130671790
tert-butyl N-[1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 107248008
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
CID 107247467
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride (CID 68943833) is tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride is C[C@@H](CNC1CC1)NC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride?
The InChIKey is PWQJQOIWJZSHKP-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8(7-12-9-5-6-9)13-10(14)15-11(2,3)4;/h8-9,12H,5-7H2,1-4H3,(H,13,14);1H/t8-;/m0./s1.
What are the key properties of tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride?
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 68943833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).