(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide

C16H25N3O2 — CID 71855564

IUPAC(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-14-6-3-5-13(9-14)10-17-16(21)19-8-4-7-15(19)11-20/h3,5-6,9,12,15,18,20H,4,7-8,10-11H2,1-2H3,(H,17,21)/t15-/m1/s1
InChIKeyGNIUIXCVDQIGBS-OAHLLOKOSA-N
MW291.39 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 71855564) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID71855564
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)Nc1cccc(CNC(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-14-6-3-5-13(9-14)10-17-16(21)19-8-4-7-15(19)11-20/h3,5-6,9,12,15,18,20H,4,7-8,10-11H2,1-2H3,(H,17,21)/t15-/m1/s1
InChIKeyGNIUIXCVDQIGBS-OAHLLOKOSA-N
XLogP2.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide (CID 71855564) is (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide is CC(C)Nc1cccc(CNC(=O)N2CCC[C@@H]2CO)c1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is GNIUIXCVDQIGBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-14-6-3-5-13(9-14)10-17-16(21)19-8-4-7-15(19)11-20/h3,5-6,9,12,15,18,20H,4,7-8,10-11H2,1-2H3,(H,17,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[[3-(propan-2-ylamino)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71855564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).