[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid

C19H28FN3O3 — CID 68978723

IUPAC[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid
SMILESCN(C[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C19H28FN3O3/c1-21(19(24)25)12-16(15-2-4-17(20)5-3-15)6-7-22-13-18(14-22)23-8-10-26-11-9-23/h2-5,16,18H,6-14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyRMJLINHCJYUCJC-MRXNPFEDSA-N
MW365.45 g/mol
LogP1.93
Rot. Bonds7

About [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid

[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid (PubChem CID 68978723) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid
PubChem CID68978723
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid
SMILESCN(C[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C19H28FN3O3/c1-21(19(24)25)12-16(15-2-4-17(20)5-3-15)6-7-22-13-18(14-22)23-8-10-26-11-9-23/h2-5,16,18H,6-14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyRMJLINHCJYUCJC-MRXNPFEDSA-N
XLogP1.93
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid?
The IUPAC name of [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid (CID 68978723) is [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid is CN(C[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid?
The InChIKey is RMJLINHCJYUCJC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-21(19(24)25)12-16(15-2-4-17(20)5-3-15)6-7-22-13-18(14-22)23-8-10-26-11-9-23/h2-5,16,18H,6-14H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid?
[(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid has a molecular weight of 365.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)-4-(3-morpholin-4-ylazetidin-1-yl)butyl]-methylcarbamic acid is sourced from PubChem (CID 68978723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).