methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate

C9H12N2O2 — CID 130621848

IUPACmethyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(11-9(12)13-2)8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyILLRTWHDDQOQAZ-SSDOTTSWSA-N
MW180.21 g/mol
LogP1.50
Rot. Bonds2

About methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate

methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate (PubChem CID 130621848) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
PubChem CID130621848
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
SMILESCOC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(11-9(12)13-2)8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyILLRTWHDDQOQAZ-SSDOTTSWSA-N
XLogP1.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
2-imino-N-(1-pyridin-3-ylethyl)propanamide
CID 123297788

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate?
The IUPAC name of methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate (CID 130621848) is methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate?
The canonical SMILES for methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate is COC(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate?
The InChIKey is ILLRTWHDDQOQAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(11-9(12)13-2)8-4-3-5-10-6-8/h3-7H,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate?
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 130621848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).