2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C19H25F2N3O4 — CID 122010265

IUPAC2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC2CC2(C)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C19H25F2N3O4/c1-19(12-3-4-14(20)15(21)7-12)8-16(19)22-18(27)24-5-6-28-13(10-24)9-23(2)11-17(25)26/h3-4,7,13,16H,5-6,8-11H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyVOXCCICCPILILP-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.42
Rot. Bonds6

About 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122010265) has the molecular formula C19H25F2N3O4 and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122010265
Molecular FormulaC19H25F2N3O4
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC Name2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)NC2CC2(C)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C19H25F2N3O4/c1-19(12-3-4-14(20)15(21)7-12)8-16(19)22-18(27)24-5-6-28-13(10-24)9-23(2)11-17(25)26/h3-4,7,13,16H,5-6,8-11H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyVOXCCICCPILILP-UHFFFAOYSA-N
XLogP1.42
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]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-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122006958
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607070
2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012595
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
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-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[4-[(4-ethyl-3-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122088532

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122010265) is 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)NC2CC2(C)c2ccc(F)c(F)c2)CCO1.
What is the InChIKey of 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is VOXCCICCPILILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O4/c1-19(12-3-4-14(20)15(21)7-12)8-16(19)22-18(27)24-5-6-28-13(10-24)9-23(2)11-17(25)26/h3-4,7,13,16H,5-6,8-11H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 397.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(3,4-difluorophenyl)-2-methylcyclopropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122010265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).