1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

C14H25N3O4 — CID 106346727

IUPAC1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC(C(N)=O)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-9-5-6-17(10(7-9)13(19)20)14(21)16-11(8(2)3)12(15)18/h8-11H,4-7H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyHVUQPPGGWPQJLT-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.78
Rot. Bonds5

About 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 106346727) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID106346727
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC(C(N)=O)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-9-5-6-17(10(7-9)13(19)20)14(21)16-11(8(2)3)12(15)18/h8-11H,4-7H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyHVUQPPGGWPQJLT-UHFFFAOYSA-N
XLogP0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430249
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
CID 114431702
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (CID 106346727) is 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)NC(C(N)=O)C(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is HVUQPPGGWPQJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-9-5-6-17(10(7-9)13(19)20)14(21)16-11(8(2)3)12(15)18/h8-11H,4-7H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 106346727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).