tert-butyl N-[(1R)-1-aminopropyl]carbamate

C8H18N2O2 — CID 45092381

IUPACtert-butyl N-[(1R)-1-aminopropyl]carbamate
SMILESCC[C@H](N)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyWUUZQZURHHSYSF-ZCFIWIBFSA-N
MW174.24 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl N-[(1R)-1-aminopropyl]carbamate

tert-butyl N-[(1R)-1-aminopropyl]carbamate (PubChem CID 45092381) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-aminopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-aminopropyl]carbamate
PubChem CID45092381
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl N-[(1R)-1-aminopropyl]carbamate
SMILESCC[C@H](N)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyWUUZQZURHHSYSF-ZCFIWIBFSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
CID 62651256
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
CID 162513184
CID 162513184
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-aminopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-aminopropyl]carbamate (CID 45092381) is tert-butyl N-[(1R)-1-aminopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-aminopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-aminopropyl]carbamate is CC[C@H](N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-aminopropyl]carbamate?
The InChIKey is WUUZQZURHHSYSF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-6(9)10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-aminopropyl]carbamate?
tert-butyl N-[(1R)-1-aminopropyl]carbamate has a molecular weight of 174.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-aminopropyl]carbamate is sourced from PubChem (CID 45092381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).