2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid

C11H16N2O8 — CID 115535343

IUPAC2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
SMILESCOC(=O)C1CN(C(=O)NC(CC(=O)O)C(=O)O)CCO1
InChIInChI=1S/C11H16N2O8/c1-20-10(18)7-5-13(2-3-21-7)11(19)12-6(9(16)17)4-8(14)15/h6-7H,2-5H2,1H3,(H,12,19)(H,14,15)(H,16,17)
InChIKeyYWPIGLFAJWJSDE-UHFFFAOYSA-N
MW304.26 g/mol
LogP-1.50
Rot. Bonds5

About 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid

2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid (PubChem CID 115535343) has the molecular formula C11H16N2O8 and a molecular weight of 304.26 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
PubChem CID115535343
Molecular FormulaC11H16N2O8
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Name2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
SMILESCOC(=O)C1CN(C(=O)NC(CC(=O)O)C(=O)O)CCO1
InChIInChI=1S/C11H16N2O8/c1-20-10(18)7-5-13(2-3-21-7)11(19)12-6(9(16)17)4-8(14)15/h6-7H,2-5H2,1H3,(H,12,19)(H,14,15)(H,16,17)
InChIKeyYWPIGLFAJWJSDE-UHFFFAOYSA-N
XLogP-1.50
TPSA142.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]morpholine-2-carboxylate
CID 78926794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid (CID 115535343) is 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid is COC(=O)C1CN(C(=O)NC(CC(=O)O)C(=O)O)CCO1.
What is the InChIKey of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid?
The InChIKey is YWPIGLFAJWJSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O8/c1-20-10(18)7-5-13(2-3-21-7)11(19)12-6(9(16)17)4-8(14)15/h6-7H,2-5H2,1H3,(H,12,19)(H,14,15)(H,16,17).
What are the key properties of 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid?
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid has a molecular weight of 304.26 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 115535343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).