1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid

C16H26N2O5 — CID 22665766

IUPAC1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)NC(C(=O)N1CCCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-16(22)17-13(11-7-4-3-5-8-11)14(19)18-10-6-9-12(18)15(20)21/h11-13H,2-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyAIUVVHMXKIMTJR-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.76
Rot. Bonds5

About 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid

1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 22665766) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID22665766
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCOC(=O)NC(C(=O)N1CCCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H26N2O5/c1-2-23-16(22)17-13(11-7-4-3-5-8-11)14(19)18-10-6-9-12(18)15(20)21/h11-13H,2-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyAIUVVHMXKIMTJR-UHFFFAOYSA-N
XLogP1.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 11501269
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 166747936
methyl (2S)-1-[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 154984761
(2S)-1-[(2S)-2-cyclohexyl-2-formamidoacetyl]pyrrolidine-2-carboxylic acid
CID 88885614
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2S)-1-[(2S)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70042341
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
CID 54342088
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
benzyl (2S)-1-[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 142523100

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 22665766) is 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid is CCOC(=O)NC(C(=O)N1CCCC1C(=O)O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AIUVVHMXKIMTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-2-23-16(22)17-13(11-7-4-3-5-8-11)14(19)18-10-6-9-12(18)15(20)21/h11-13H,2-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(ethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22665766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).