4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid

C14H25N3O4 — CID 114425882

IUPAC4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-12(18)8-16-14(21)17-5-4-10(3)6-11(17)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyXPONCOUFVNAFMG-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds5

About 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425882) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425882
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9(2)7-15-12(18)8-16-14(21)17-5-4-10(3)6-11(17)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyXPONCOUFVNAFMG-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 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 ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25160334
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
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(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-[[(1S)-1-cyclohexylethyl]amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
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(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 59187346
(2s)-6-Azanyl-2-[[(2r)-3-Cyclohexyl-1-(3-Methylbutylamino)-1-Oxidanylidene-Propan-2-Yl]carbamoylamino]hexanoic Acid
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Isoleucyllysine
CID 14299177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid (CID 114425882) is 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid is CC(C)CNC(=O)CNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is XPONCOUFVNAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(2)7-15-12(18)8-16-14(21)17-5-4-10(3)6-11(17)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).