2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid

C12H20N2O4 — CID 119350413

IUPAC2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
SMILESCC(C)C(=O)N1CCCCC1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8(2)12(18)14-6-4-3-5-9(14)11(17)13-7-10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyAJLFBMILWXNQPX-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds4

About 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid

2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid (PubChem CID 119350413) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
PubChem CID119350413
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
SMILESCC(C)C(=O)N1CCCCC1C(=O)NCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8(2)12(18)14-6-4-3-5-9(14)11(17)13-7-10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyAJLFBMILWXNQPX-UHFFFAOYSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
3-amino-4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 18219635
2-[[(2S)-1-[2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 175731269
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
2-[[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18301019
3-[(2-amino-3-hydroxybutanoyl)amino]-4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 18746580
2-[[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18743387
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
2-[[1-[2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18746980
2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]acetic acid
CID 175732650
2-[[1-[2-[2-[[2-(2-aminopropanoylamino)acetyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18759408
2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 25134557

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid (CID 119350413) is 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid is CC(C)C(=O)N1CCCCC1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid?
The InChIKey is AJLFBMILWXNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)12(18)14-6-4-3-5-9(14)11(17)13-7-10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid?
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).