1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid

C9H16N2O3 — CID 131173226

IUPAC1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCCN1CC(N)=O
InChIInChI=1S/C9H16N2O3/c1-6-7(9(13)14)3-2-4-11(6)5-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyOLAADAPCBCFNHK-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid

1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 131173226) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID131173226
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCCN1CC(N)=O
InChIInChI=1S/C9H16N2O3/c1-6-7(9(13)14)3-2-4-11(6)5-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyOLAADAPCBCFNHK-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122124967
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
2-(2-cyclopropylpyrrolidin-1-yl)acetamide
CID 126996638
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid (CID 131173226) is 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid is CC1C(C(=O)O)CCCN1CC(N)=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is OLAADAPCBCFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-7(9(13)14)3-2-4-11(6)5-8(10)12/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 131173226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).