3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

C10H18N2O5 — CID 106670735

IUPAC3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CC(O)C(O)C1)C(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(9(15)16)6(2)11-10(17)12-3-7(13)8(14)4-12/h5-8,13-14H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyPSGORQADAOPFFZ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.16
Rot. Bonds3

About 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid

3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 106670735) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID106670735
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CC(O)C(O)C1)C(C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(9(15)16)6(2)11-10(17)12-3-7(13)8(14)4-12/h5-8,13-14H,3-4H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyPSGORQADAOPFFZ-UHFFFAOYSA-N
XLogP-1.16
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 106670572
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 113416458
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167134951
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103357102
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]hexanoic acid
CID 106670612
2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 106670775
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 106670735) is 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid is CC(NC(=O)N1CC(O)C(O)C1)C(C)C(=O)O.
What is the InChIKey of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is PSGORQADAOPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5(9(15)16)6(2)11-10(17)12-3-7(13)8(14)4-12/h5-8,13-14H,3-4H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid?
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.16, 3 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]-2-methylbutanoic acid is sourced from PubChem (CID 106670735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).