2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H22N2O6 — CID 104774718

IUPAC2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCOC(=O)C1COCCN1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H22N2O6/c1-9(2)6-14(7-11(16)17)13(19)15-4-5-21-8-10(15)12(18)20-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyYPMBMTFLGYOBSI-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.02
Rot. Bonds5

About 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 104774718) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID104774718
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCOC(=O)C1COCCN1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H22N2O6/c1-9(2)6-14(7-11(16)17)13(19)15-4-5-21-8-10(15)12(18)20-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyYPMBMTFLGYOBSI-UHFFFAOYSA-N
XLogP0.02
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 104774718) is 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is COC(=O)C1COCCN1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is YPMBMTFLGYOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-9(2)6-14(7-11(16)17)13(19)15-4-5-21-8-10(15)12(18)20-3/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 104774718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).