3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid

C12H22N2O3 — CID 107068836

IUPAC3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)NCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)13-7-10(15)14-6-4-5-9(3)11(14)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyDNXLCSNGCFMINW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds4

About 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid

3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 107068836) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID107068836
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC(C)NCC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)13-7-10(15)14-6-4-5-9(3)11(14)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyDNXLCSNGCFMINW-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068932
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069679
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068723
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid (CID 107068836) is 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid is CC(C)NCC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is DNXLCSNGCFMINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)13-7-10(15)14-6-4-5-9(3)11(14)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107068836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).