(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C15H22N2O4 — CID 28943713

IUPAC(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-10(7-14(13)21-2)5-6-16-15(19)12-8-11(18)9-17-12/h3-4,7,11-12,17-18H,5-6,8-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyMPWAULFJVFYTEV-VXGBXAGGSA-N
MW294.35 g/mol
LogP0.09
Rot. Bonds6

About (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 28943713) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID28943713
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-10(7-14(13)21-2)5-6-16-15(19)12-8-11(18)9-17-12/h3-4,7,11-12,17-18H,5-6,8-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyMPWAULFJVFYTEV-VXGBXAGGSA-N
XLogP0.09
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567
(2R,4R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125148120
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120779
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 28943713) is (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is COc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2)cc1OC.
What is the InChIKey of (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is MPWAULFJVFYTEV-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-4-3-10(7-14(13)21-2)5-6-16-15(19)12-8-11(18)9-17-12/h3-4,7,11-12,17-18H,5-6,8-9H2,1-2H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 28943713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).