methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate

C14H29N3O2 — CID 64712123

IUPACmethyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-11(10-14(2,15)13(18)19-5)17-8-6-12(7-9-17)16(3)4/h11-12H,6-10,15H2,1-5H3
InChIKeyKVPCJGONAILABU-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.68
Rot. Bonds5

About methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate

methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate (PubChem CID 64712123) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
PubChem CID64712123
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-11(10-14(2,15)13(18)19-5)17-8-6-12(7-9-17)16(3)4/h11-12H,6-10,15H2,1-5H3
InChIKeyKVPCJGONAILABU-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
CID 64711971
methyl 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 64702799
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
methyl 2-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoate
CID 79946066
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385
methyl 2-amino-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanoate
CID 79918028
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate (CID 64712123) is methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate is COC(=O)C(C)(N)CC(C)N1CCC(N(C)C)CC1.
What is the InChIKey of methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate?
The InChIKey is KVPCJGONAILABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(10-14(2,15)13(18)19-5)17-8-6-12(7-9-17)16(3)4/h11-12H,6-10,15H2,1-5H3.
What are the key properties of methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate?
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate has a molecular weight of 271.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate is sourced from PubChem (CID 64712123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).