4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C14H26N2O4 — CID 114351372

IUPAC4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)4-5-10(3)15-13(18)8-16-7-11(17)6-12(16)14(19)20/h9-12,17H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyGZMXFQNOADXLKU-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.45
Rot. Bonds7

About 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351372) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID114351372
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)4-5-10(3)15-13(18)8-16-7-11(17)6-12(16)14(19)20/h9-12,17H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyGZMXFQNOADXLKU-UHFFFAOYSA-N
XLogP0.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351280
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 115486274
1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330
4-hydroxy-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61198027
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
CID 64980257
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
1-[2-(3-bromoanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351769
(2S,4R)-1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82939026
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351773

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 114351372) is 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is CC(C)CCC(C)NC(=O)CN1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GZMXFQNOADXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)4-5-10(3)15-13(18)8-16-7-11(17)6-12(16)14(19)20/h9-12,17H,4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).