1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid

C12H22N2O3 — CID 103869483

IUPAC1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC(C)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)7-13-8-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyJQEQUEYWTIPDJW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds5

About 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103869483) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID103869483
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
SMILESCC(C)CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)7-13-8-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyJQEQUEYWTIPDJW-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103244738
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid (CID 103869483) is 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid is CC(C)CNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is JQEQUEYWTIPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)7-13-8-11(15)14-5-3-10(4-6-14)12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103869483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).