2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid

C13H24N2O4 — CID 104829302

IUPAC2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-10(8-15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBPFHORGRXCLZQJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 104829302) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID104829302
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-10(8-15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBPFHORGRXCLZQJ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(pent-1-yn-3-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 106232126
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 106097890
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid (CID 104829302) is 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid is CC(NC(=O)N1CCOC(CC(=O)O)C1)C(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is BPFHORGRXCLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-10(8-15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 104829302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).