3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

C15H28N2O4 — CID 65266053

IUPAC3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCOC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-6-21-11-7-9-17(10-8-11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyMAGPJFVVETUVKC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds5

About 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65266053) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65266053
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCOC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-6-21-11-7-9-17(10-8-11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyMAGPJFVVETUVKC-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821841
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263677
3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102962213
1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62847650
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
ethyl 2-(4-ethoxypiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537808
4-(4-ethoxypiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993190

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65266053) is 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CCOC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is MAGPJFVVETUVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-21-11-7-9-17(10-8-11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).