(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate

C24H36N2O5 — CID 67865577

IUPAC(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCCCCCNC(=O)CN1CCC[C@H]1C(=O)OCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C24H36N2O5/c1-2-3-8-15-25-22(27)18-26-16-10-13-21(26)24(29)30-17-9-7-14-23(28)31-19-20-11-5-4-6-12-20/h4-6,11-12,21H,2-3,7-10,13-19H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyOIWZSCNCPXFZID-NRFANRHFSA-N
MW432.56 g/mol
LogP3.21
Rot. Bonds14

About (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate

(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 67865577) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID67865577
Molecular FormulaC24H36N2O5
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Name(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCCCCCNC(=O)CN1CCC[C@H]1C(=O)OCCCCC(=O)OCc1ccccc1
InChIInChI=1S/C24H36N2O5/c1-2-3-8-15-25-22(27)18-26-16-10-13-21(26)24(29)30-17-9-7-14-23(28)31-19-20-11-5-4-6-12-20/h4-6,11-12,21H,2-3,7-10,13-19H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyOIWZSCNCPXFZID-NRFANRHFSA-N
XLogP3.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 56804335
nonyl 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 91695582
benzyl heptadecanoate
CID 522569
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
pentyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695537
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
heptyl 1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 91695529
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
benzyl 12-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]dodecanoate
CID 168792985
4-O-benzyl 1-O-octyl butanedioate
CID 528266
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
CID 62028758

Frequently Asked Questions

What is the IUPAC name of (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate (CID 67865577) is (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate is CCCCCNC(=O)CN1CCC[C@H]1C(=O)OCCCCC(=O)OCc1ccccc1.
What is the InChIKey of (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is OIWZSCNCPXFZID-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-2-3-8-15-25-22(27)18-26-16-10-13-21(26)24(29)30-17-9-7-14-23(28)31-19-20-11-5-4-6-12-20/h4-6,11-12,21H,2-3,7-10,13-19H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate?
(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 432.56 g/mol, XLogP of 3.21, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 67865577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).