methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate

C14H26N2O3 — CID 65290339

IUPACmethyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H26N2O3/c1-14(2,8-9-15)7-6-12(17)16-10-4-5-11(16)13(18)19-3/h11H,4-10,15H2,1-3H3
InChIKeyOVGIYDDTSRYUCV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.31
Rot. Bonds6

About methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate

methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate (PubChem CID 65290339) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate
PubChem CID65290339
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H26N2O3/c1-14(2,8-9-15)7-6-12(17)16-10-4-5-11(16)13(18)19-3/h11H,4-10,15H2,1-3H3
InChIKeyOVGIYDDTSRYUCV-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate (CID 65290339) is methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CCC(C)(C)CCN.
What is the InChIKey of methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate?
The InChIKey is OVGIYDDTSRYUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,8-9-15)7-6-12(17)16-10-4-5-11(16)13(18)19-3/h11H,4-10,15H2,1-3H3.
What are the key properties of methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate?
methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 65290339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).