2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C19H26FN3O4 — CID 122012595

IUPAC2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCO1
InChIInChI=1S/C19H26FN3O4/c1-22(12-18(24)25)10-15-11-23(7-8-27-15)19(26)21-17-4-2-3-13-5-6-14(20)9-16(13)17/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3,(H,21,26)(H,24,25)/t15?,17-/m1/s1
InChIKeyKNZUZLPRTOADLR-OMOCHNIRSA-N
MW379.43 g/mol
LogP1.63
Rot. Bonds5

About 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122012595) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122012595
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCO1
InChIInChI=1S/C19H26FN3O4/c1-22(12-18(24)25)10-15-11-23(7-8-27-15)19(26)21-17-4-2-3-13-5-6-14(20)9-16(13)17/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3,(H,21,26)(H,24,25)/t15?,17-/m1/s1
InChIKeyKNZUZLPRTOADLR-OMOCHNIRSA-N
XLogP1.63
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122012595) is 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CCO1.
What is the InChIKey of 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is KNZUZLPRTOADLR-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-22(12-18(24)25)10-15-11-23(7-8-27-15)19(26)21-17-4-2-3-13-5-6-14(20)9-16(13)17/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3,(H,21,26)(H,24,25)/t15?,17-/m1/s1.
What are the key properties of 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 379.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122012595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).