2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid

C10H16N2O6 — CID 113330572

IUPAC2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
SMILESCOC(=O)C1CN(C(=O)N(C)CC(=O)O)CCO1
InChIInChI=1S/C10H16N2O6/c1-11(6-8(13)14)10(16)12-3-4-18-7(5-12)9(15)17-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDSGOPDKZSPHENR-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.00
Rot. Bonds3

About 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid

2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid (PubChem CID 113330572) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
PubChem CID113330572
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
SMILESCOC(=O)C1CN(C(=O)N(C)CC(=O)O)CCO1
InChIInChI=1S/C10H16N2O6/c1-11(6-8(13)14)10(16)12-3-4-18-7(5-12)9(15)17-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDSGOPDKZSPHENR-UHFFFAOYSA-N
XLogP-1.00
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid
CID 174215532

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid (CID 113330572) is 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid is COC(=O)C1CN(C(=O)N(C)CC(=O)O)CCO1.
What is the InChIKey of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid?
The InChIKey is DSGOPDKZSPHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-11(6-8(13)14)10(16)12-3-4-18-7(5-12)9(15)17-2/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid?
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 113330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).