2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate

C10H20N2O2 — CID 80563571

IUPAC2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCC1CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-6-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyAVLAQJHZGPCUNU-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.98
Rot. Bonds4

About 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate

2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate (PubChem CID 80563571) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
PubChem CID80563571
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCC1CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-6-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyAVLAQJHZGPCUNU-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
N-(2-methylpropoxy)-2-pyrrolidin-3-ylacetamide
CID 82721934
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
CID 91043993
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate (CID 80563571) is 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate is CC(C)COC(=O)NCC1CCNC1.
What is the InChIKey of 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate?
The InChIKey is AVLAQJHZGPCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)7-14-10(13)12-6-9-3-4-11-5-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate?
2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate has a molecular weight of 200.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate is sourced from PubChem (CID 80563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).