1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C16H29N3O5 — CID 59540311

IUPAC1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C)C(C)OC
InChIInChI=1S/C16H29N3O5/c1-10(2)17-15(21)12-7-6-8-19(12)16(22)14(11(3)24-5)18-13(20)9-23-4/h10-12,14H,6-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyWMYMEBXZWMRRLJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP-0.33
Rot. Bonds8

About 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 59540311) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID59540311
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C)C(C)OC
InChIInChI=1S/C16H29N3O5/c1-10(2)17-15(21)12-7-6-8-19(12)16(22)14(11(3)24-5)18-13(20)9-23-4/h10-12,14H,6-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyWMYMEBXZWMRRLJ-UHFFFAOYSA-N
XLogP-0.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-(phenylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]carbamate
CID 118890438
methyl N-[(2S,3R)-1-(2-formylpyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl]carbamate
CID 155093843
methyl 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxobutanoate
CID 11798888
2,2,2-trifluoroethyl (2S)-2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 95244930
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
(4S)-4-[(2-aminooxyacetyl)amino]-5-[[(2S)-1-[(2S)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 134129188
2-[[1-[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
CID 18492515
(2S)-1-[(2S)-2,3-dimethylbutanoyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 163895120
methyl N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate
CID 59616659
(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 71347488

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 59540311) is 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is COCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C)C(C)OC.
What is the InChIKey of 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WMYMEBXZWMRRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-10(2)17-15(21)12-7-6-8-19(12)16(22)14(11(3)24-5)18-13(20)9-23-4/h10-12,14H,6-9H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[(2-methoxyacetyl)amino]butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59540311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).