pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)

C25H42N6O8 — CID 69430454

IUPACpentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
SMILESNC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.NC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.O=C(O)CCCC(=O)O
InChIInChI=1S/2C10H17N3O2.C5H8O4/c2*11-9(14)8-4-2-6-13(8)10(15)7-3-1-5-12-7;6-4(7)2-1-3-5(8)9/h2*7-8,12H,1-6H2,(H2,11,14);1-3H2,(H,6,7)(H,8,9)/t2*7-,8?;/m00./s1
InChIKeyQAGZSDRPDNJLFP-CNLMZSPQSA-N
MW554.65 g/mol
LogP-1.24
Rot. Bonds8

About pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)

pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide) (PubChem CID 69430454) has the molecular formula C25H42N6O8 and a molecular weight of 554.65 g/mol. Its IUPAC name is pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide).

Molecular Properties

Compound Namepentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
PubChem CID69430454
Molecular FormulaC25H42N6O8
Molecular Weight554.65 g/mol
Exact Mass554.31
IUPAC Namepentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
SMILESNC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.NC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.O=C(O)CCCC(=O)O
InChIInChI=1S/2C10H17N3O2.C5H8O4/c2*11-9(14)8-4-2-6-13(8)10(15)7-3-1-5-12-7;6-4(7)2-1-3-5(8)9/h2*7-8,12H,1-6H2,(H2,11,14);1-3H2,(H,6,7)(H,8,9)/t2*7-,8?;/m00./s1
InChIKeyQAGZSDRPDNJLFP-CNLMZSPQSA-N
XLogP-1.24
TPSA225.46 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
(2-arsanylcarbonylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 173334366
[(2S)-2-arsanylcarbonylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 173334367
(2S)-1-[(2S,3R)-3-propan-2-yl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 15513257
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338

Frequently Asked Questions

What is the IUPAC name of pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)?
The IUPAC name of pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide) (CID 69430454) is pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide).
What is the SMILES notation for pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)?
The canonical SMILES for pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide) is NC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.NC(=O)C1CCCN1C(=O)[C@@H]1CCCN1.O=C(O)CCCC(=O)O.
What is the InChIKey of pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)?
The InChIKey is QAGZSDRPDNJLFP-CNLMZSPQSA-N. The full InChI is InChI=1S/2C10H17N3O2.C5H8O4/c2*11-9(14)8-4-2-6-13(8)10(15)7-3-1-5-12-7;6-4(7)2-1-3-5(8)9/h2*7-8,12H,1-6H2,(H2,11,14);1-3H2,(H,6,7)(H,8,9)/t2*7-,8?;/m00./s1.
What are the key properties of pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)?
pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide) has a molecular weight of 554.65 g/mol, XLogP of -1.24, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide) is sourced from PubChem (CID 69430454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).