4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid

C14H26N2O4 — CID 102907152

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)C(CNC(=O)N1CCOC(C(=O)O)C1)C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)11(10(3)4)7-15-14(19)16-5-6-20-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyUMTUKZHDYOECLT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.41
Rot. Bonds5

About 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid

4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 102907152) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID102907152
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCC(C)C(CNC(=O)N1CCOC(C(=O)O)C1)C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)11(10(3)4)7-15-14(19)16-5-6-20-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyUMTUKZHDYOECLT-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
CID 139013682
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 106374354
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 114111577
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid (CID 102907152) is 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid is CC(C)C(CNC(=O)N1CCOC(C(=O)O)C1)C(C)C.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is UMTUKZHDYOECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)11(10(3)4)7-15-14(19)16-5-6-20-12(8-16)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid?
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 102907152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).