2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid

C13H23N3O4 — CID 106346761

IUPAC2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC(C)C(NC(=O)N1CCCCC1CC(=O)O)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-8(2)11(12(14)19)15-13(20)16-6-4-3-5-9(16)7-10(17)18/h8-9,11H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyMMTIVORYLJTLMY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds5

About 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 106346761) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID106346761
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCC(C)C(NC(=O)N1CCCCC1CC(=O)O)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-8(2)11(12(14)19)15-13(20)16-6-4-3-5-9(16)7-10(17)18/h8-9,11H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyMMTIVORYLJTLMY-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid with MolForge

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Related Compounds

1-[(4-Acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11580241
1-(2-Amino-3-methylbutanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446233
1-(2-Amino-3-methylpentanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446234
1-(2-Aminopropanoyl)-4-propylpiperidine-2-carboxylic acid
CID 18446236
1-[(Propanoylamino)methyl]-4-propylpiperidine-2-carboxylic acid
CID 18446240
1-[[2-(2-Methylpropanoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 23108353
1-[[4-(2-Methylpropanoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 23297902
[(2S)-1-[2-[[(2R)-1-carboxypropan-2-yl]carbamoyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanide;yttrium
CID 59601400
3-[[(2S)-1-(diethylamino)-1-oxohexan-2-yl]carbamoylamino]butanoic acid
CID 59942341
2-[(4-Acetylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64817475
2-[(2R)-1-(2-amino-3-methylbutanoyl)piperidin-2-yl]acetic acid
CID 71192894
6-[[(2R)-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoylamino]hexanoic acid
CID 87583003

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid (CID 106346761) is 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid is CC(C)C(NC(=O)N1CCCCC1CC(=O)O)C(N)=O.
What is the InChIKey of 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is MMTIVORYLJTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)11(12(14)19)15-13(20)16-6-4-3-5-9(16)7-10(17)18/h8-9,11H,3-7H2,1-2H3,(H2,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 106346761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).