2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

C20H29N3O5 — CID 122005696

IUPAC2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1Oc2ccccc2C1C
InChIInChI=1S/C20H29N3O5/c1-13-16-6-4-5-7-17(16)28-19(13)14(2)21-20(26)23-8-9-27-15(11-23)10-22(3)12-18(24)25/h4-7,13-15,19H,8-12H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyGDWVCQLFVNUZJW-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.37
Rot. Bonds6

About 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122005696) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122005696
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1Oc2ccccc2C1C
InChIInChI=1S/C20H29N3O5/c1-13-16-6-4-5-7-17(16)28-19(13)14(2)21-20(26)23-8-9-27-15(11-23)10-22(3)12-18(24)25/h4-7,13-15,19H,8-12H2,1-3H3,(H,21,26)(H,24,25)
InChIKeyGDWVCQLFVNUZJW-UHFFFAOYSA-N
XLogP1.37
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122001953
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122013142
2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122005696) is 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is CC(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1Oc2ccccc2C1C.
What is the InChIKey of 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is GDWVCQLFVNUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-13-16-6-4-5-7-17(16)28-19(13)14(2)21-20(26)23-8-9-27-15(11-23)10-22(3)12-18(24)25/h4-7,13-15,19H,8-12H2,1-3H3,(H,21,26)(H,24,25).
What are the key properties of 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 391.47 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122005696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).