(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

C16H23N3O3 — CID 95625732

IUPAC(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H23N3O3/c1-22-11-13-6-3-2-5-12(13)9-18-15(20)10-19-8-4-7-14(19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m1/s1
InChIKeyRXMDXSWDBQTJCR-CQSZACIVSA-N
MW305.38 g/mol
LogP0.40
Rot. Bonds7

About (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 95625732) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID95625732
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(N)=O
InChIInChI=1S/C16H23N3O3/c1-22-11-13-6-3-2-5-12(13)9-18-15(20)10-19-8-4-7-14(19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m1/s1
InChIKeyRXMDXSWDBQTJCR-CQSZACIVSA-N
XLogP0.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 111333456
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910385
1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908548
N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 124506022
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
1-(benzenesulfonyl)-N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134023239
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 95625732) is (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is COCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is RXMDXSWDBQTJCR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-11-13-6-3-2-5-12(13)9-18-15(20)10-19-8-4-7-14(19)16(17)21/h2-3,5-6,14H,4,7-11H2,1H3,(H2,17,21)(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95625732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).