tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate

C14H27NO2 — CID 107419495

IUPACtert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
SMILESCC1CCCC1CNCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(11)10-15-9-8-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyOLJRUYHGSUVXIF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate

tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate (PubChem CID 107419495) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
PubChem CID107419495
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
SMILESCC1CCCC1CNCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(11)10-15-9-8-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyOLJRUYHGSUVXIF-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
CID 107417872
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
tert-butyl 2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]acetate
CID 165062523
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate?
The IUPAC name of tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate (CID 107419495) is tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate is CC1CCCC1CNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate?
The InChIKey is OLJRUYHGSUVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-6-5-7-12(11)10-15-9-8-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate?
tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate is sourced from PubChem (CID 107419495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).