2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid

C13H21NO4 — CID 129469870

IUPAC2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
SMILESC=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C13H21NO4/c1-9(2)6-10(3)13(17)14-4-5-18-8-11(14)7-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyLNLAVUQKFTTZBZ-GHMZBOCLSA-N
MW255.31 g/mol
LogP1.29
Rot. Bonds5

About 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid (PubChem CID 129469870) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
PubChem CID129469870
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
SMILESC=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C13H21NO4/c1-9(2)6-10(3)13(17)14-4-5-18-8-11(14)7-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyLNLAVUQKFTTZBZ-GHMZBOCLSA-N
XLogP1.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
CID 114469359
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766
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-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
CID 106917248
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
CID 81100894
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-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid (CID 129469870) is 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid is C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid?
The InChIKey is LNLAVUQKFTTZBZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(2)6-10(3)13(17)14-4-5-18-8-11(14)7-12(15)16/h10-11H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).