3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid

C10H18N2O3 — CID 116920779

IUPAC3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
SMILESCN1CCCC(C(=O)C(N)CC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-12-4-2-3-7(6-12)10(15)8(11)5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyAGONPKJBMXSQLY-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.30
Rot. Bonds4

About 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid

3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid (PubChem CID 116920779) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
PubChem CID116920779
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
SMILESCN1CCCC(C(=O)C(N)CC(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-12-4-2-3-7(6-12)10(15)8(11)5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyAGONPKJBMXSQLY-UHFFFAOYSA-N
XLogP-0.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
3-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 64894600
methyl 3-methyl-2-(1-methylpiperidine-3-carbonyl)butanoate
CID 116923664
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
1-methylpiperidine-3-carbothioic S-acid
CID 116918903

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid (CID 116920779) is 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid is CN1CCCC(C(=O)C(N)CC(=O)O)C1.
What is the InChIKey of 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid?
The InChIKey is AGONPKJBMXSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12-4-2-3-7(6-12)10(15)8(11)5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid?
3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 116920779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).