benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate

C20H27N3O6 — CID 168919986

IUPACbenzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate
SMILESO=C(OCc1ccccc1)[C@@H](CC(=O)N1CCOCC1)NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C20H27N3O6/c24-16-6-7-23(13-16)20(27)21-17(12-18(25)22-8-10-28-11-9-22)19(26)29-14-15-4-2-1-3-5-15/h1-5,16-17,24H,6-14H2,(H,21,27)/t16-,17-/m1/s1
InChIKeySFXUQBAFZUVRGD-IAGOWNOFSA-N
MW405.45 g/mol
LogP0.12
Rot. Bonds6

About benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate

benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate (PubChem CID 168919986) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate
PubChem CID168919986
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Namebenzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate
SMILESO=C(OCc1ccccc1)[C@@H](CC(=O)N1CCOCC1)NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C20H27N3O6/c24-16-6-7-23(13-16)20(27)21-17(12-18(25)22-8-10-28-11-9-22)19(26)29-14-15-4-2-1-3-5-15/h1-5,16-17,24H,6-14H2,(H,21,27)/t16-,17-/m1/s1
InChIKeySFXUQBAFZUVRGD-IAGOWNOFSA-N
XLogP0.12
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate?
The IUPAC name of benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate (CID 168919986) is benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate.
What is the SMILES notation for benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate?
The canonical SMILES for benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate is O=C(OCc1ccccc1)[C@@H](CC(=O)N1CCOCC1)NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate?
The InChIKey is SFXUQBAFZUVRGD-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H27N3O6/c24-16-6-7-23(13-16)20(27)21-17(12-18(25)22-8-10-28-11-9-22)19(26)29-14-15-4-2-1-3-5-15/h1-5,16-17,24H,6-14H2,(H,21,27)/t16-,17-/m1/s1.
What are the key properties of benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate?
benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate has a molecular weight of 405.45 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate is sourced from PubChem (CID 168919986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).