2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

C20H29N3O4 — CID 122015392

IUPAC2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CCO1
InChIInChI=1S/C20H29N3O4/c1-20(10-17(20)15-6-4-3-5-7-15)14-21-19(26)23-8-9-27-16(12-23)11-22(2)13-18(24)25/h3-7,16-17H,8-14H2,1-2H3,(H,21,26)(H,24,25)/t16?,17-,20-/m0/s1
InChIKeyUFFVYBIWWSAEBH-IZVBFETMSA-N
MW375.47 g/mol
LogP1.61
Rot. Bonds7

About 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122015392) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122015392
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CCO1
InChIInChI=1S/C20H29N3O4/c1-20(10-17(20)15-6-4-3-5-7-15)14-21-19(26)23-8-9-27-16(12-23)11-22(2)13-18(24)25/h3-7,16-17H,8-14H2,1-2H3,(H,21,26)(H,24,25)/t16?,17-,20-/m0/s1
InChIKeyUFFVYBIWWSAEBH-IZVBFETMSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]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-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
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-[methyl-[[4-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122006153
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122001953
2-[[4-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122005568
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122015392) is 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CCO1.
What is the InChIKey of 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is UFFVYBIWWSAEBH-IZVBFETMSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(10-17(20)15-6-4-3-5-7-15)14-21-19(26)23-8-9-27-16(12-23)11-22(2)13-18(24)25/h3-7,16-17H,8-14H2,1-2H3,(H,21,26)(H,24,25)/t16?,17-,20-/m0/s1.
What are the key properties of 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).