2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid

C16H28N2O5 — CID 119248962

IUPAC2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
SMILESCC(C)CC(=O)NC(C(=O)N1CCOC(CC(=O)O)C1)C(C)C
InChIInChI=1S/C16H28N2O5/c1-10(2)7-13(19)17-15(11(3)4)16(22)18-5-6-23-12(9-18)8-14(20)21/h10-12,15H,5-9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeySWLXHVJXMKAKOQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.88
Rot. Bonds7

About 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid

2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248962) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
PubChem CID119248962
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
SMILESCC(C)CC(=O)NC(C(=O)N1CCOC(CC(=O)O)C1)C(C)C
InChIInChI=1S/C16H28N2O5/c1-10(2)7-13(19)17-15(11(3)4)16(22)18-5-6-23-12(9-18)8-14(20)21/h10-12,15H,5-9H2,1-4H3,(H,17,19)(H,20,21)
InChIKeySWLXHVJXMKAKOQ-UHFFFAOYSA-N
XLogP0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[(2S)-4-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholin-2-yl]acetic acid
CID 97324660
N-[1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 110900075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid (CID 119248962) is 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid is CC(C)CC(=O)NC(C(=O)N1CCOC(CC(=O)O)C1)C(C)C.
What is the InChIKey of 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is SWLXHVJXMKAKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-10(2)7-13(19)17-15(11(3)4)16(22)18-5-6-23-12(9-18)8-14(20)21/h10-12,15H,5-9H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).