4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

C14H26N2O3 — CID 80541063

IUPAC4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NCCC(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-14(3)6-9-16(10-7-14)13(19)15-8-5-11(2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyPFZKVQPMADQXOR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80541063) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80541063
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NCCC(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-14(3)6-9-16(10-7-14)13(19)15-8-5-11(2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyPFZKVQPMADQXOR-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63162019
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)butanoic acid
CID 80541178
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 80541063) is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC1(C)CCN(C(=O)NCCC(C)C(=O)O)CC1.
What is the InChIKey of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is PFZKVQPMADQXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(3)6-9-16(10-7-14)13(19)15-8-5-11(2)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80541063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).