2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid

C14H27N3O4 — CID 102995442

IUPAC2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCCN(CCCN(C)C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H27N3O4/c1-4-16(7-5-6-15(2)3)14(20)17-8-9-21-12(11-17)10-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyKWKIYPDPMRDAHX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.56
Rot. Bonds7

About 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 102995442) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID102995442
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCCN(CCCN(C)C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H27N3O4/c1-4-16(7-5-6-15(2)3)14(20)17-8-9-21-12(11-17)10-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyKWKIYPDPMRDAHX-UHFFFAOYSA-N
XLogP0.56
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[butyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435406
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433326
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[4-[2-methoxyethyl(2-methylpropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433518
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid (CID 102995442) is 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid is CCN(CCCN(C)C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is KWKIYPDPMRDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-16(7-5-6-15(2)3)14(20)17-8-9-21-12(11-17)10-13(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propyl-ethylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 102995442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).