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

C11H20N2O5 — CID 106670775

IUPAC2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N1CC(O)C(O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)7(10(16)17)3-12-11(18)13-4-8(14)9(15)5-13/h6-9,14-15H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLTGBEJHYDHZGFV-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.91
Rot. Bonds4

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

2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 106670775) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
PubChem CID106670775
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N1CC(O)C(O)C1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)7(10(16)17)3-12-11(18)13-4-8(14)9(15)5-13/h6-9,14-15H,3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLTGBEJHYDHZGFV-UHFFFAOYSA-N
XLogP-0.91
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
2-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65226496
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
3-methyl-2-[[(4-methylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226860
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114412196
3-methyl-2-[[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]butanoic acid
CID 102885317
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid (CID 106670775) is 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)N1CC(O)C(O)C1)C(=O)O.
What is the InChIKey of 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is LTGBEJHYDHZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)7(10(16)17)3-12-11(18)13-4-8(14)9(15)5-13/h6-9,14-15H,3-5H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 106670775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).