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

C13H23N3O5 — CID 106917248

IUPAC2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C13H23N3O5/c1-9(12(19)14-2)7-15(3)13(20)16-4-5-21-8-10(16)6-11(17)18/h9-10H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyNVCRIDKMWSVFKA-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.40
Rot. Bonds5

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

2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid (PubChem CID 106917248) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
PubChem CID106917248
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C13H23N3O5/c1-9(12(19)14-2)7-15(3)13(20)16-4-5-21-8-10(16)6-11(17)18/h9-10H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyNVCRIDKMWSVFKA-UHFFFAOYSA-N
XLogP-0.40
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766
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-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
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-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106917346

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid (CID 106917248) is 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid is CNC(=O)C(C)CN(C)C(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is NVCRIDKMWSVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-9(12(19)14-2)7-15(3)13(20)16-4-5-21-8-10(16)6-11(17)18/h9-10H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid?
2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 106917248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).