(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide

C20H33N3O4 — CID 124716854

IUPAC(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H33N3O4/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h14-16H,3-13H2,1-2H3,(H,21,26)(H,22,24)/t15-,16-,20-/m1/s1
InChIKeyUTLJNUDXVOWYRJ-JXXFODFXSA-N
MW379.50 g/mol
LogP1.50
Rot. Bonds7

About (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124716854) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124716854
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Name(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H33N3O4/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h14-16H,3-13H2,1-2H3,(H,21,26)(H,22,24)/t15-,16-,20-/m1/s1
InChIKeyUTLJNUDXVOWYRJ-JXXFODFXSA-N
XLogP1.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 7014031
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 7103582
(2S)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-methylbutanamide
CID 41186736
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 114996677
N-methyl-N-(oxan-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 113226309
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
3-(cyclopropylamino)-2-methyl-3-oxo-2-(oxolan-2-ylmethyl)propanoic acid
CID 114900280
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
N-hydroxy-2,2-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 131997483

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 124716854) is (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide is CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UTLJNUDXVOWYRJ-JXXFODFXSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h14-16H,3-13H2,1-2H3,(H,21,26)(H,22,24)/t15-,16-,20-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124716854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).