ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate

C14H28N2O2 — CID 55161934

IUPACethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12(17)14(4,15)9-7-11-16-10-6-8-13(16,2)3/h5-11,15H2,1-4H3
InChIKeyVUVWIQDNRWAAGR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.92
Rot. Bonds6

About ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate

ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate (PubChem CID 55161934) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
PubChem CID55161934
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-18-12(17)14(4,15)9-7-11-16-10-6-8-13(16,2)3/h5-11,15H2,1-4H3
InChIKeyVUVWIQDNRWAAGR-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 63217433
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 63217657
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254003
ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 64702655
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate (CID 55161934) is ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate is CCOC(=O)C(C)(N)CCCN1CCCC1(C)C.
What is the InChIKey of ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
The InChIKey is VUVWIQDNRWAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-12(17)14(4,15)9-7-11-16-10-6-8-13(16,2)3/h5-11,15H2,1-4H3.
What are the key properties of ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate?
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate has a molecular weight of 256.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 55161934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).