(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 79001244

IUPAC(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1CCCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h7-10,15H,1-6,13H2,(H,17,18)/t7-,8?,9?,10-/m1/s1
InChIKeyUGDCSXXFKPCQRN-SEZDTBSWSA-N
MW256.30 g/mol
LogP-0.45
Rot. Bonds2

About (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79001244) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79001244
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1CCCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h7-10,15H,1-6,13H2,(H,17,18)/t7-,8?,9?,10-/m1/s1
InChIKeyUGDCSXXFKPCQRN-SEZDTBSWSA-N
XLogP-0.45
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66235685
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80593854
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000761
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79001244) is (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is NC1CCCCC1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UGDCSXXFKPCQRN-SEZDTBSWSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h7-10,15H,1-6,13H2,(H,17,18)/t7-,8?,9?,10-/m1/s1.
What are the key properties of (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79001244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).