3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid

C11H20N2O5 — CID 106670612

IUPAC3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O5/c1-2-3-7(4-10(16)17)12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyVPNDPFKPEJPRLR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.62
Rot. Bonds5

About 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid

3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid (PubChem CID 106670612) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid
PubChem CID106670612
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O5/c1-2-3-7(4-10(16)17)12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyVPNDPFKPEJPRLR-UHFFFAOYSA-N
XLogP-0.62
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735
(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
3-(3-cyclopropylpropanoylamino)hexanoic acid
CID 115910353
(2S)-2-(1-carboxypentan-2-ylcarbamoylamino)pentanedioic acid
CID 134458676
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
3-(but-2-ynoylamino)hexanoic acid
CID 107986940
3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106216545
3-[(4-methylsulfanylpiperidine-1-carbonyl)amino]pentanoic acid
CID 114237897
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
CID 116656284

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid (CID 106670612) is 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid is CCCC(CC(=O)O)NC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is VPNDPFKPEJPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-3-7(4-10(16)17)12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid?
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 106670612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).