3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid

C11H21N3O3 — CID 64701839

IUPAC3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,6-9(15)16)13-10(17)14-5-3-4-8(12)7-14/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySGMMLRGMITWVJG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.37
Rot. Bonds3

About 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid

3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64701839) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64701839
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCC(N)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,6-9(15)16)13-10(17)14-5-3-4-8(12)7-14/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySGMMLRGMITWVJG-UHFFFAOYSA-N
XLogP0.37
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
(2S)-2-[(3-aminopiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61403898
2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 106097982
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
CID 79257422
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 64701839) is 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)N1CCCC(N)C1.
What is the InChIKey of 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is SGMMLRGMITWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,6-9(15)16)13-10(17)14-5-3-4-8(12)7-14/h8H,3-7,12H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64701839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).