(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide

C16H23N3O3 — CID 95579656

IUPAC(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O3/c1-11(9-12-5-3-4-6-14(12)22-2)18-16(21)19-8-7-13(10-19)15(17)20/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1
InChIKeyQRFZYLZGBIIZBQ-YPMHNXCESA-N
MW305.38 g/mol
LogP1.14
Rot. Bonds5

About (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide

(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide (PubChem CID 95579656) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
PubChem CID95579656
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
SMILESCOc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1
InChIInChI=1S/C16H23N3O3/c1-11(9-12-5-3-4-6-14(12)22-2)18-16(21)19-8-7-13(10-19)15(17)20/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1
InChIKeyQRFZYLZGBIIZBQ-YPMHNXCESA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
CID 154775414
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide (CID 95579656) is (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide is COc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is QRFZYLZGBIIZBQ-YPMHNXCESA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(9-12-5-3-4-6-14(12)22-2)18-16(21)19-8-7-13(10-19)15(17)20/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1.
What are the key properties of (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide?
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 95579656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).