1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane

C27H44N4O5 — CID 143064024

IUPAC1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
SMILESCC.CC(C)C.O=C(NC(C(=O)NCC(=O)N1CCCC1C(=O)O)C1CCCCC1)c1ccccn1
InChIInChI=1S/C21H28N4O5.C4H10.C2H6/c26-17(25-12-6-10-16(25)21(29)30)13-23-20(28)18(14-7-2-1-3-8-14)24-19(27)15-9-4-5-11-22-15;1-4(2)3;1-2/h4-5,9,11,14,16,18H,1-3,6-8,10,12-13H2,(H,23,28)(H,24,27)(H,29,30);4H,1-3H3;1-2H3
InChIKeyJXQPDFUFHTUOLP-UHFFFAOYSA-N
MW504.67 g/mol
LogP3.64
Rot. Bonds7

About 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane

1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane (PubChem CID 143064024) has the molecular formula C27H44N4O5 and a molecular weight of 504.67 g/mol. Its IUPAC name is 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane.

Molecular Properties

Compound Name1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
PubChem CID143064024
Molecular FormulaC27H44N4O5
Molecular Weight504.67 g/mol
Exact Mass504.33
IUPAC Name1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane
SMILESCC.CC(C)C.O=C(NC(C(=O)NCC(=O)N1CCCC1C(=O)O)C1CCCCC1)c1ccccn1
InChIInChI=1S/C21H28N4O5.C4H10.C2H6/c26-17(25-12-6-10-16(25)21(29)30)13-23-20(28)18(14-7-2-1-3-8-14)24-19(27)15-9-4-5-11-22-15;1-4(2)3;1-2/h4-5,9,11,14,16,18H,1-3,6-8,10,12-13H2,(H,23,28)(H,24,27)(H,29,30);4H,1-3H3;1-2H3
InChIKeyJXQPDFUFHTUOLP-UHFFFAOYSA-N
XLogP3.64
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.67
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane with MolForge

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Related Compounds

N-[1-cyclohexyl-2-[[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 143063997
N-[2-[[2-[2-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143359859
N-[2-[[2-[2-[(1-amino-1,2-dioxoheptan-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclohexyl-2-oxoethyl]pyrazine-2-carboxamide
CID 143064089
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2S)-1-(3-acetylsulfanyl-4-oxo-4-pyridin-2-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 54532620
(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175727770
N-[(1S)-1-cyclohexyl-2-[[(2S)-1-[(2S)-2-[[2-hydroxy-1-oxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide
CID 70333136
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid
CID 66855109
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane?
The IUPAC name of 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane (CID 143064024) is 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane.
What is the SMILES notation for 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane?
The canonical SMILES for 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane is CC.CC(C)C.O=C(NC(C(=O)NCC(=O)N1CCCC1C(=O)O)C1CCCCC1)c1ccccn1.
What is the InChIKey of 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane?
The InChIKey is JXQPDFUFHTUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5.C4H10.C2H6/c26-17(25-12-6-10-16(25)21(29)30)13-23-20(28)18(14-7-2-1-3-8-14)24-19(27)15-9-4-5-11-22-15;1-4(2)3;1-2/h4-5,9,11,14,16,18H,1-3,6-8,10,12-13H2,(H,23,28)(H,24,27)(H,29,30);4H,1-3H3;1-2H3.
What are the key properties of 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane?
1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane has a molecular weight of 504.67 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-cyclohexyl-2-(pyridine-2-carbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid;ethane;2-methylpropane is sourced from PubChem (CID 143064024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).