(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C19H30N2O5 — CID 175767330

IUPAC(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(=O)CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H30N2O5/c1-13(2)7-8-14(22)9-10-17(23)20-11-3-5-15(20)18(24)21-12-4-6-16(21)19(25)26/h13,15-16H,3-12H2,1-2H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyHTJXSFFPRKLMOE-HOTGVXAUSA-N
MW366.46 g/mol
LogP1.84
Rot. Bonds8

About (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 175767330) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID175767330
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(=O)CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H30N2O5/c1-13(2)7-8-14(22)9-10-17(23)20-11-3-5-15(20)18(24)21-12-4-6-16(21)19(25)26/h13,15-16H,3-12H2,1-2H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyHTJXSFFPRKLMOE-HOTGVXAUSA-N
XLogP1.84
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
1-[2-(3-methylbutylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356353
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
(2S)-1-[(2S)-1-[5-(azepan-1-yl)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 11373162
1-[3-(2-methylpropylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119355675
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 175767330) is (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is CC(C)CCC(=O)CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HTJXSFFPRKLMOE-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-13(2)7-8-14(22)9-10-17(23)20-11-3-5-15(20)18(24)21-12-4-6-16(21)19(25)26/h13,15-16H,3-12H2,1-2H3,(H,25,26)/t15-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-(7-methyl-4-oxooctanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175767330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).