2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid

C14H29N3O2 — CID 64725416

IUPAC2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
SMILESCNC(C)(CC(C)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-11(10-14(2,15-3)13(18)19)17(5)12-6-8-16(4)9-7-12/h11-12,15H,6-10H2,1-5H3,(H,18,19)
InChIKeyBFIQNJWPAQPGLS-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.85
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid

2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid (PubChem CID 64725416) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
PubChem CID64725416
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
SMILESCNC(C)(CC(C)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-11(10-14(2,15-3)13(18)19)17(5)12-6-8-16(4)9-7-12/h11-12,15H,6-10H2,1-5H3,(H,18,19)
InChIKeyBFIQNJWPAQPGLS-UHFFFAOYSA-N
XLogP0.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid (CID 64725416) is 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid is CNC(C)(CC(C)N(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid?
The InChIKey is BFIQNJWPAQPGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(10-14(2,15-3)13(18)19)17(5)12-6-8-16(4)9-7-12/h11-12,15H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid?
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 64725416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).