(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide

C19H23N3O4 — CID 56719092

IUPAC(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1oc(COc2ccccc2)cc1C
InChIInChI=1S/C19H23N3O4/c1-12-8-15(11-25-14-6-4-3-5-7-14)26-17(12)19(24)22-10-13(20)9-16(22)18(23)21-2/h3-8,13,16H,9-11,20H2,1-2H3,(H,21,23)/t13-,16-/m0/s1
InChIKeyNROMNWHJVFECBK-BBRMVZONSA-N
MW357.41 g/mol
LogP1.45
Rot. Bonds5

About (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56719092) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56719092
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1oc(COc2ccccc2)cc1C
InChIInChI=1S/C19H23N3O4/c1-12-8-15(11-25-14-6-4-3-5-7-14)26-17(12)19(24)22-10-13(20)9-16(22)18(23)21-2/h3-8,13,16H,9-11,20H2,1-2H3,(H,21,23)/t13-,16-/m0/s1
InChIKeyNROMNWHJVFECBK-BBRMVZONSA-N
XLogP1.45
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide (CID 56719092) is (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1oc(COc2ccccc2)cc1C.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is NROMNWHJVFECBK-BBRMVZONSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-8-15(11-25-14-6-4-3-5-7-14)26-17(12)19(24)22-10-13(20)9-16(22)18(23)21-2/h3-8,13,16H,9-11,20H2,1-2H3,(H,21,23)/t13-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56719092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).