butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate

C10H20N2O2 — CID 54259099

IUPACbutyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
SMILESCCCCOC(=O)N[C@H]1CNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-3-4-5-14-10(13)12-9-7-11-6-8(9)2/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyRCEXSVGHSCTLCC-BDAKNGLRSA-N
MW200.28 g/mol
LogP1.12
Rot. Bonds4

About butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate

butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate (PubChem CID 54259099) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
PubChem CID54259099
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
SMILESCCCCOC(=O)N[C@H]1CNC[C@H]1C
InChIInChI=1S/C10H20N2O2/c1-3-4-5-14-10(13)12-9-7-11-6-8(9)2/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyRCEXSVGHSCTLCC-BDAKNGLRSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
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2-methoxy-N-(4-methylpyrrolidin-3-yl)acetamide
CID 104826197
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
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phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
CID 144589052
2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
CID 156654436
heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
CID 86282211
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Frequently Asked Questions

What is the IUPAC name of butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate (CID 54259099) is butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate is CCCCOC(=O)N[C@H]1CNC[C@H]1C.
What is the InChIKey of butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate?
The InChIKey is RCEXSVGHSCTLCC-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-5-14-10(13)12-9-7-11-6-8(9)2/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate?
butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 54259099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).