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

C18H33N3O5 — CID 122006958

IUPAC2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCC1(CC)C(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1OC
InChIInChI=1S/C18H33N3O5/c1-5-18(6-2)14(9-15(18)25-4)19-17(24)21-7-8-26-13(11-21)10-20(3)12-16(22)23/h13-15H,5-12H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyAEFNLEVRCQOTOL-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.01
Rot. Bonds8

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

2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122006958) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122006958
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Name2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCC1(CC)C(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1OC
InChIInChI=1S/C18H33N3O5/c1-5-18(6-2)14(9-15(18)25-4)19-17(24)21-7-8-26-13(11-21)10-20(3)12-16(22)23/h13-15H,5-12H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyAEFNLEVRCQOTOL-UHFFFAOYSA-N
XLogP1.01
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122006958) is 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCC1(CC)C(NC(=O)N2CCOC(CN(C)CC(=O)O)C2)CC1OC.
What is the InChIKey of 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is AEFNLEVRCQOTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-5-18(6-2)14(9-15(18)25-4)19-17(24)21-7-8-26-13(11-21)10-20(3)12-16(22)23/h13-15H,5-12H2,1-4H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 371.48 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122006958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).