1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid

C18H24N2O5 — CID 166316891

IUPAC1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCN(CCC(=O)N1CCCCC1C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-19(18(24)25-13-14-7-3-2-4-8-14)12-10-16(21)20-11-6-5-9-15(20)17(22)23/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,23)
InChIKeyXWASPQKYMCHHJI-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.11
Rot. Bonds6

About 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid

1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid (PubChem CID 166316891) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
PubChem CID166316891
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCN(CCC(=O)N1CCCCC1C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-19(18(24)25-13-14-7-3-2-4-8-14)12-10-16(21)20-11-6-5-9-15(20)17(22)23/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,23)
InChIKeyXWASPQKYMCHHJI-UHFFFAOYSA-N
XLogP2.11
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54428617
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
benzyl N-[[(2S)-1-(2-chloroacetyl)piperidin-2-yl]methyl]-N-methylcarbamate
CID 96553932
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid (CID 166316891) is 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid is CN(CCC(=O)N1CCCCC1C(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is XWASPQKYMCHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-19(18(24)25-13-14-7-3-2-4-8-14)12-10-16(21)20-11-6-5-9-15(20)17(22)23/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,22,23).
What are the key properties of 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid?
1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(phenylmethoxycarbonyl)amino]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 166316891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).