2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C20H29N3O4 — CID 122001953

IUPAC2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1ccccc1C(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1CC1
InChIInChI=1S/C20H29N3O4/c1-14-5-3-4-6-17(14)19(15-7-8-15)21-20(26)23-9-10-27-16(12-23)11-22(2)13-18(24)25/h3-6,15-16,19H,7-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeySLMQTQVFJGBMPS-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.87
Rot. Bonds7

About 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122001953) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122001953
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1ccccc1C(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1CC1
InChIInChI=1S/C20H29N3O4/c1-14-5-3-4-6-17(14)19(15-7-8-15)21-20(26)23-9-10-27-16(12-23)11-22(2)13-18(24)25/h3-6,15-16,19H,7-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeySLMQTQVFJGBMPS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[methyl-[[4-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122005696
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2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
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2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
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
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2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[(3,4-diethylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088781
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122001953) is 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is Cc1ccccc1C(NC(=O)N1CCOC(CN(C)CC(=O)O)C1)C1CC1.
What is the InChIKey of 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is SLMQTQVFJGBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14-5-3-4-6-17(14)19(15-7-8-15)21-20(26)23-9-10-27-16(12-23)11-22(2)13-18(24)25/h3-6,15-16,19H,7-13H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122001953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).