4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

C14H24N2O4 — CID 170367679

IUPAC4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESCCC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-10(2)16-6-4-5-11(16)13(17)15-7-8-20-12(9-15)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyLEYMVVWDVNMVJL-CXQJBGSLSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds4

About 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 170367679) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID170367679
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESCCC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-10(2)16-6-4-5-11(16)13(17)15-7-8-20-12(9-15)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t10?,11-,12?/m0/s1
InChIKeyLEYMVVWDVNMVJL-CXQJBGSLSA-N
XLogP0.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 119238863
4-acetylmorpholine-2-carboxylic acid
CID 20598078
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225
(1-heptan-2-ylpyrrolidin-2-yl)-piperazin-1-ylmethanone
CID 80557727
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (CID 170367679) is 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is CCC(C)N1CCC[C@H]1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is LEYMVVWDVNMVJL-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-10(2)16-6-4-5-11(16)13(17)15-7-8-20-12(9-15)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t10?,11-,12?/m0/s1.
What are the key properties of 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 170367679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).