(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 97216797

IUPAC(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CCCN2C[C@H](O)C[C@@H]2C(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-20-13-6-2-4-11(8-13)5-3-7-17-10-12(18)9-14(17)15(16)19/h2,4,6,8,12,14,18H,3,5,7,9-10H2,1H3,(H2,16,19)/t12-,14-/m1/s1
InChIKeyLRRWUOCCPKTEIU-TZMCWYRMSA-N
MW278.35 g/mol
LogP0.55
Rot. Bonds6

About (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 97216797) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide
PubChem CID97216797
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CCCN2C[C@H](O)C[C@@H]2C(N)=O)c1
InChIInChI=1S/C15H22N2O3/c1-20-13-6-2-4-11(8-13)5-3-7-17-10-12(18)9-14(17)15(16)19/h2,4,6,8,12,14,18H,3,5,7,9-10H2,1H3,(H2,16,19)/t12-,14-/m1/s1
InChIKeyLRRWUOCCPKTEIU-TZMCWYRMSA-N
XLogP0.55
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxylate
CID 115971528
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
(2S,4S)-1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 166630369
(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide
CID 110203709
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide (CID 97216797) is (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide is COc1cccc(CCCN2C[C@H](O)C[C@@H]2C(N)=O)c1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is LRRWUOCCPKTEIU-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-13-6-2-4-11(8-13)5-3-7-17-10-12(18)9-14(17)15(16)19/h2,4,6,8,12,14,18H,3,5,7,9-10H2,1H3,(H2,16,19)/t12-,14-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[3-(3-methoxyphenyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97216797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).