(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen

C16H32N4O4 — CID 155720528

IUPAC(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.[H][H].[H][H]
InChIInChI=1S/C14H22N4O4.C2H6.2H2/c1-9(19)17-6-3-5-11(17)14(22)18-7-2-4-10(18)13(21)16-8-12(15)20;1-2;;/h10-11H,2-8H2,1H3,(H2,15,20)(H,16,21);1-2H3;2*1H/t10-,11-;;;/m0.../s1
InChIKeyAUOJFFYBXFQLDN-YNTUAPIPSA-N
MW344.46 g/mol
LogP0.11
Rot. Bonds4

About (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen

(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen (PubChem CID 155720528) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen
PubChem CID155720528
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.[H][H].[H][H]
InChIInChI=1S/C14H22N4O4.C2H6.2H2/c1-9(19)17-6-3-5-11(17)14(22)18-7-2-4-10(18)13(21)16-8-12(15)20;1-2;;/h10-11H,2-8H2,1H3,(H2,15,20)(H,16,21);1-2H3;2*1H/t10-,11-;;;/m0.../s1
InChIKeyAUOJFFYBXFQLDN-YNTUAPIPSA-N
XLogP0.11
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 24838464
(2S,4S)-1-[(2S)-1-[2-[[(2S,4R)-1-[(2S)-1-[2-[[(2S,4R)-1-[(2S)-1-[2-[[(2S,4R)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]-N-[2-[(2S)-2-[(2S,4R)-2-[[2-[(2S)-2-[(2S,4R)-2-[[2-[(2S)-2-[(2S,4R)-2-[(2-amino-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-4-azidopyrrolidine-2-carboxamide
CID 57333764
(2R)-2-[[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-amino-3-oxopropane-1-sulfonic acid
CID 102324392
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
tert-butyl 2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 142730493
(2S)-1-[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylpentanoyl]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 101106721
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The IUPAC name of (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen (CID 155720528) is (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen is CC.CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.[H][H].[H][H].
What is the InChIKey of (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The InChIKey is AUOJFFYBXFQLDN-YNTUAPIPSA-N. The full InChI is InChI=1S/C14H22N4O4.C2H6.2H2/c1-9(19)17-6-3-5-11(17)14(22)18-7-2-4-10(18)13(21)16-8-12(15)20;1-2;;/h10-11H,2-8H2,1H3,(H2,15,20)(H,16,21);1-2H3;2*1H/t10-,11-;;;/m0.../s1.
What are the key properties of (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen has a molecular weight of 344.46 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 155720528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).