(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid

C22H28N4O5 — CID 168882526

IUPAC(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C1CCC(c2cncc(NC3CCC(C(=O)N4CC[C@@H](C(=O)O)C4)CC3)c2)C(=O)N1
InChIInChI=1S/C22H28N4O5/c27-19-6-5-18(20(28)25-19)15-9-17(11-23-10-15)24-16-3-1-13(2-4-16)21(29)26-8-7-14(12-26)22(30)31/h9-11,13-14,16,18,24H,1-8,12H2,(H,30,31)(H,25,27,28)/t13?,14-,16?,18?/m1/s1
InChIKeyDRKZSNKMXLYJJX-ZJKLVQPKSA-N
MW428.49 g/mol
LogP1.51
Rot. Bonds5

About (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 168882526) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID168882526
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C1CCC(c2cncc(NC3CCC(C(=O)N4CC[C@@H](C(=O)O)C4)CC3)c2)C(=O)N1
InChIInChI=1S/C22H28N4O5/c27-19-6-5-18(20(28)25-19)15-9-17(11-23-10-15)24-16-3-1-13(2-4-16)21(29)26-8-7-14(12-26)22(30)31/h9-11,13-14,16,18,24H,1-8,12H2,(H,30,31)(H,25,27,28)/t13?,14-,16?,18?/m1/s1
InChIKeyDRKZSNKMXLYJJX-ZJKLVQPKSA-N
XLogP1.51
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 168882197
1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882341
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
(3R)-1-[4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]oxy]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 168881836
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 178015398
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 168882205
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid (CID 168882526) is (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid is O=C1CCC(c2cncc(NC3CCC(C(=O)N4CC[C@@H](C(=O)O)C4)CC3)c2)C(=O)N1.
What is the InChIKey of (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DRKZSNKMXLYJJX-ZJKLVQPKSA-N. The full InChI is InChI=1S/C22H28N4O5/c27-19-6-5-18(20(28)25-19)15-9-17(11-23-10-15)24-16-3-1-13(2-4-16)21(29)26-8-7-14(12-26)22(30)31/h9-11,13-14,16,18,24H,1-8,12H2,(H,30,31)(H,25,27,28)/t13?,14-,16?,18?/m1/s1.
What are the key properties of (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168882526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).