(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide

C18H32N2O4 — CID 58901304

IUPAC(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)O
InChIInChI=1S/C18H32N2O4/c1-11(2)10-15(16(22)12(3)4)19(6)18(24)14-8-7-9-20(14)17(23)13(5)21/h11-15,21H,7-10H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyGGCJWWYBSRJUJJ-SOUVJXGZSA-N
MW340.46 g/mol
LogP1.46
Rot. Bonds7

About (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 58901304) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID58901304
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)O
InChIInChI=1S/C18H32N2O4/c1-11(2)10-15(16(22)12(3)4)19(6)18(24)14-8-7-9-20(14)17(23)13(5)21/h11-15,21H,7-10H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyGGCJWWYBSRJUJJ-SOUVJXGZSA-N
XLogP1.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoic acid
CID 11438415
methyl (3S,4R,5S)-3-hydroxy-4-[[(2S,3R)-3-hydroxy-2-[[(2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoyl]amino]-5-methylheptanoate
CID 10841083
methyl (2S,3S)-2-[[(2R)-2-[[(2S)-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate
CID 90662493
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-[(2S)-2-hydroxypropanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 14607704
(2S)-1-(butylcarbamothioyl)-N-[(4R)-2,6-dimethyl-3-oxohept-1-en-4-yl]-N-methylpyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 156846172
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
benzyl (2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 46217033
benzyl 2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 58649444
cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
CID 139677117

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide (CID 58901304) is (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide is CC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)O.
What is the InChIKey of (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GGCJWWYBSRJUJJ-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-11(2)10-15(16(22)12(3)4)19(6)18(24)14-8-7-9-20(14)17(23)13(5)21/h11-15,21H,7-10H2,1-6H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 340.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 58901304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).