methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate

C14H29N3O2 — CID 81474926

IUPACmethyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-11-9-17(10-12(11)16(3)4)8-6-7-14(2,15)13(18)19-5/h11-12H,6-10,15H2,1-5H3
InChIKeyXWKNBJJOIPMDPU-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds6

About methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate

methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate (PubChem CID 81474926) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
PubChem CID81474926
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-11-9-17(10-12(11)16(3)4)8-6-7-14(2,15)13(18)19-5/h11-12H,6-10,15H2,1-5H3
InChIKeyXWKNBJJOIPMDPU-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate (CID 81474926) is methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate is COC(=O)C(C)(N)CCCN1CC(C)C(N(C)C)C1.
What is the InChIKey of methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate?
The InChIKey is XWKNBJJOIPMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11-9-17(10-12(11)16(3)4)8-6-7-14(2,15)13(18)19-5/h11-12H,6-10,15H2,1-5H3.
What are the key properties of methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate?
methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate has a molecular weight of 271.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate is sourced from PubChem (CID 81474926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).