(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C12H23N3O2 — CID 124686388

IUPAC(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)C1CC1
InChIInChI=1S/C12H23N3O2/c1-15(2)11(8-3-4-8)7-14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,3-7H2,1-2H3,(H,14,17)/t9-,10-,11-/m1/s1
InChIKeyQKIJPDBPFIJGCQ-GMTAPVOTSA-N
MW241.33 g/mol
LogP-0.83
Rot. Bonds5

About (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124686388) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124686388
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)C1CC1
InChIInChI=1S/C12H23N3O2/c1-15(2)11(8-3-4-8)7-14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,3-7H2,1-2H3,(H,14,17)/t9-,10-,11-/m1/s1
InChIKeyQKIJPDBPFIJGCQ-GMTAPVOTSA-N
XLogP-0.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201
N-(2-cyclohexyl-2-hydroxyethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 122145254
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61249232
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 124686388) is (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is CN(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)C1CC1.
What is the InChIKey of (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QKIJPDBPFIJGCQ-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(2)11(8-3-4-8)7-14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,3-7H2,1-2H3,(H,14,17)/t9-,10-,11-/m1/s1.
What are the key properties of (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124686388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).