(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide

C11H21N3O2 — CID 162453191

IUPAC(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C1CCC(N)CC1
InChIInChI=1S/C11H21N3O2/c12-7-1-3-8(4-2-7)14-6-9(15)5-10(14)11(13)16/h7-10,15H,1-6,12H2,(H2,13,16)/t7?,8?,9-,10-/m1/s1
InChIKeyUNHURJQXWDSIDR-YDYPAMBWSA-N
MW227.31 g/mol
LogP-0.82
Rot. Bonds2

About (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 162453191) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID162453191
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C1CCC(N)CC1
InChIInChI=1S/C11H21N3O2/c12-7-1-3-8(4-2-7)14-6-9(15)5-10(14)11(13)16/h7-10,15H,1-6,12H2,(H2,13,16)/t7?,8?,9-,10-/m1/s1
InChIKeyUNHURJQXWDSIDR-YDYPAMBWSA-N
XLogP-0.82
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-(cyclopropylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130683262
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67774938
1-(3-aminocyclopentyl)piperidine-2-carboxamide
CID 79468890
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
4-(3-aminocyclopentyl)morpholine-3-carboxamide
CID 83095575
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 65269624
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide (CID 162453191) is (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@H]1C[C@@H](O)CN1C1CCC(N)CC1.
What is the InChIKey of (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UNHURJQXWDSIDR-YDYPAMBWSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-7-1-3-8(4-2-7)14-6-9(15)5-10(14)11(13)16/h7-10,15H,1-6,12H2,(H2,13,16)/t7?,8?,9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 162453191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).