tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride

C8H19ClN2O2 — CID 53484846

IUPACtert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
SMILESC[C@@H](N)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-6(9)5-10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKeyNXKQBPNSELZLGM-FYZOBXCZSA-N
MW210.70 g/mol
LogP1.28
Rot. Bonds2

About tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride

tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride (PubChem CID 53484846) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.70 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
PubChem CID53484846
Molecular FormulaC8H19ClN2O2
Molecular Weight210.70 g/mol
Exact Mass210.11
IUPAC Nametert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
SMILESC[C@@H](N)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C8H18N2O2.ClH/c1-6(9)5-10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m1./s1
InChIKeyNXKQBPNSELZLGM-FYZOBXCZSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride (CID 53484846) is tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride is C[C@@H](N)CNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride?
The InChIKey is NXKQBPNSELZLGM-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H18N2O2.ClH/c1-6(9)5-10-7(11)12-8(2,3)4;/h6H,5,9H2,1-4H3,(H,10,11);1H/t6-;/m1./s1.
What are the key properties of tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride?
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride has a molecular weight of 210.70 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride is sourced from PubChem (CID 53484846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).