2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid

C12H22N2O5 — CID 113499766

IUPAC2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
SMILESCC(O)CCN(C)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(15)3-4-13(2)12(18)14-5-6-19-8-10(14)7-11(16)17/h9-10,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyHFZLFRNPXAQWTR-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.02
Rot. Bonds5

About 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid

2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid (PubChem CID 113499766) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
PubChem CID113499766
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
SMILESCC(O)CCN(C)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-9(15)3-4-13(2)12(18)14-5-6-19-8-10(14)7-11(16)17/h9-10,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyHFZLFRNPXAQWTR-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
CID 106917248
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
2-[4-[cyclobutylmethyl(ethyl)carbamoyl]morpholin-3-yl]acetic acid
CID 107400285
2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
CID 107737154
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
CID 81100894
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid (CID 113499766) is 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid is CC(O)CCN(C)C(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is HFZLFRNPXAQWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(15)3-4-13(2)12(18)14-5-6-19-8-10(14)7-11(16)17/h9-10,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid?
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 113499766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).