4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid

C13H23NO4 — CID 103499357

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(10(2)12(16)17)11(15)14(3)8-13(18)6-4-5-7-13/h9-10,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyGPAUOSCIWOORML-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.11
Rot. Bonds5

About 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid

4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103499357) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103499357
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H23NO4/c1-9(10(2)12(16)17)11(15)14(3)8-13(18)6-4-5-7-13/h9-10,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyGPAUOSCIWOORML-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-Diethylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 58091796
4-[3,4-Di(propan-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 121339922
4-(3,4-Diethylpyrrolidin-1-yl)-4-oxobutanoic acid;methane
CID 159490778
4-[Cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
4-[Cyclopentylmethyl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 63633140
1-[(1-Hydroxycyclopentyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 65104069
4-[(1-Hydroxycyclopentyl)methylamino]-4-oxobutanoic acid
CID 65107802
4-[(1-Hydroxycyclopentyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65108425
4-[(1-Hydroxycyclopentyl)methyl-methylamino]butanoic acid
CID 65212814
4-[(1-Hydroxycyclopentyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300267
4-[Cyclopentylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300407
1-(2-Hydroxy-2,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 66179463

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103499357) is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is GPAUOSCIWOORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(10(2)12(16)17)11(15)14(3)8-13(18)6-4-5-7-13/h9-10,18H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103499357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).