(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C21H25N3O3 — CID 124828194

IUPAC(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-15(27-18-9-3-2-4-10-18)21(26)23-17-8-5-7-16(13-17)14-24-12-6-11-19(24)20(22)25/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H2,22,25)(H,23,26)/t15-,19+/m1/s1
InChIKeyFVGNVHWZPYYLBR-BEFAXECRSA-N
MW367.45 g/mol
LogP2.54
Rot. Bonds7

About (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124828194) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID124828194
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-15(27-18-9-3-2-4-10-18)21(26)23-17-8-5-7-16(13-17)14-24-12-6-11-19(24)20(22)25/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H2,22,25)(H,23,26)/t15-,19+/m1/s1
InChIKeyFVGNVHWZPYYLBR-BEFAXECRSA-N
XLogP2.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55986549
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
1-[[3-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560416
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 124828194) is (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1.
What is the InChIKey of (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FVGNVHWZPYYLBR-BEFAXECRSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(27-18-9-3-2-4-10-18)21(26)23-17-8-5-7-16(13-17)14-24-12-6-11-19(24)20(22)25/h2-5,7-10,13,15,19H,6,11-12,14H2,1H3,(H2,22,25)(H,23,26)/t15-,19+/m1/s1.
What are the key properties of (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124828194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).