2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

C19H35N3O4 — CID 122007160

IUPAC2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(C)C1CCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1
InChIInChI=1S/C19H35N3O4/c1-14(2)16-6-4-15(5-7-16)10-20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h14-17H,4-13H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyKUFPDFXXLBDWKI-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.88
Rot. Bonds7

About 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122007160) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122007160
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(C)C1CCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1
InChIInChI=1S/C19H35N3O4/c1-14(2)16-6-4-15(5-7-16)10-20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h14-17H,4-13H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyKUFPDFXXLBDWKI-UHFFFAOYSA-N
XLogP1.88
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-[(4,4-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122008099
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012720
2-[methyl-[[4-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122006153
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122001953
2-[[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122075883
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966724
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122007160) is 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is CC(C)C1CCC(CNC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1.
What is the InChIKey of 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is KUFPDFXXLBDWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-14(2)16-6-4-15(5-7-16)10-20-19(25)22-8-9-26-17(12-22)11-21(3)13-18(23)24/h14-17H,4-13H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 369.51 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122007160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).