2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C20H29N3O4 — CID 122007892

IUPAC2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NCCC2Cc3ccccc3C2)CCO1
InChIInChI=1S/C20H29N3O4/c1-22(14-19(24)25)12-18-13-23(8-9-27-18)20(26)21-7-6-15-10-16-4-2-3-5-17(16)11-15/h2-5,15,18H,6-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyCHYFLTLUAQNPOH-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.22
Rot. Bonds7

About 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122007892) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122007892
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NCCC2Cc3ccccc3C2)CCO1
InChIInChI=1S/C20H29N3O4/c1-22(14-19(24)25)12-18-13-23(8-9-27-18)20(26)21-7-6-15-10-16-4-2-3-5-17(16)11-15/h2-5,15,18H,6-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyCHYFLTLUAQNPOH-UHFFFAOYSA-N
XLogP1.22
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122013142
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
2-[[4-[[2-(2-chlorophenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122000631
2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
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-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122005568
2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122001953

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122007892) is 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)NCCC2Cc3ccccc3C2)CCO1.
What is the InChIKey of 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is CHYFLTLUAQNPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-22(14-19(24)25)12-18-13-23(8-9-27-18)20(26)21-7-6-15-10-16-4-2-3-5-17(16)11-15/h2-5,15,18H,6-14H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122007892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).