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

C13H22N2O4 — CID 119349092

IUPAC2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCCCC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)12(17)15-7-5-4-6-10(15)11(16)14-9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyFXCLCFWDFCYFSM-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds4

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

2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid (PubChem CID 119349092) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
PubChem CID119349092
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)C(=O)N1CCCCC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)12(17)15-7-5-4-6-10(15)11(16)14-9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyFXCLCFWDFCYFSM-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
3-amino-4-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246786
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
(2S)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 71351596
2-[2-[[1-(2-amino-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]propanoic acid
CID 18260072
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
4-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-3-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoic acid
CID 22653555
(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
CID 134490483
2-[[1-[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 22653955
4-[(2-aminoacetyl)amino]-5-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 18487011
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid (CID 119349092) is 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid is CC(C)C(=O)N1CCCCC1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid?
The InChIKey is FXCLCFWDFCYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)12(17)15-7-5-4-6-10(15)11(16)14-9(3)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid?
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 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]propanoic acid is sourced from PubChem (CID 119349092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).