1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid

C14H25N3O4 — CID 63125301

IUPAC1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(NC(N)=O)C(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)11(18)10(9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21)
InChIKeyNHYHYMZSHSLMLE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid

1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63125301) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63125301
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(NC(N)=O)C(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)11(18)10(9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21)
InChIKeyNHYHYMZSHSLMLE-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid (CID 63125301) is 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C(NC(N)=O)C(C)C)CC1.
What is the InChIKey of 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is NHYHYMZSHSLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-14(12(19)20)5-7-17(8-6-14)11(18)10(9(2)3)16-13(15)21/h9-10H,4-8H2,1-3H3,(H,19,20)(H3,15,16,21).
What are the key properties of 1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid?
1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-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-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).