benzyl N-[(2S)-2-aminopropyl]carbamate

C11H16N2O2 — CID 45072682

IUPACbenzyl N-[(2S)-2-aminopropyl]carbamate
SMILESC[C@H](N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyHVQKTRVTQIMUEL-VIFPVBQESA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds4

About benzyl N-[(2S)-2-aminopropyl]carbamate

benzyl N-[(2S)-2-aminopropyl]carbamate (PubChem CID 45072682) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is benzyl N-[(2S)-2-aminopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-aminopropyl]carbamate
PubChem CID45072682
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namebenzyl N-[(2S)-2-aminopropyl]carbamate
SMILESC[C@H](N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyHVQKTRVTQIMUEL-VIFPVBQESA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-2-aminopropyl]carbamate;2,2,2-trifluoroacetic acid
CID 172757752
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(2S)-2-methyl-3-(methylamino)-3-sulfanylidenepropyl]carbamate
CID 118167903

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-aminopropyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-aminopropyl]carbamate (CID 45072682) is benzyl N-[(2S)-2-aminopropyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-aminopropyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-aminopropyl]carbamate is C[C@H](N)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-aminopropyl]carbamate?
The InChIKey is HVQKTRVTQIMUEL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-aminopropyl]carbamate?
benzyl N-[(2S)-2-aminopropyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-aminopropyl]carbamate is sourced from PubChem (CID 45072682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).