2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid

C16H30N2O3 — CID 107475549

IUPAC2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCC1(C(=O)NCC(CC(C)(C)C)C(=O)O)CCCNC1
InChIInChI=1S/C16H30N2O3/c1-5-16(7-6-8-17-11-16)14(21)18-10-12(13(19)20)9-15(2,3)4/h12,17H,5-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGUJUGQVQBYJHOZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.02
Rot. Bonds6

About 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107475549) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107475549
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCC1(C(=O)NCC(CC(C)(C)C)C(=O)O)CCCNC1
InChIInChI=1S/C16H30N2O3/c1-5-16(7-6-8-17-11-16)14(21)18-10-12(13(19)20)9-15(2,3)4/h12,17H,5-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGUJUGQVQBYJHOZ-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475563
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 63131690
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid (CID 107475549) is 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid is CCC1(C(=O)NCC(CC(C)(C)C)C(=O)O)CCCNC1.
What is the InChIKey of 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is GUJUGQVQBYJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-16(7-6-8-17-11-16)14(21)18-10-12(13(19)20)9-15(2,3)4/h12,17H,5-11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107475549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).