2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid

C10H16N2O7 — CID 115535386

IUPAC2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CN(C(=O)NCC(O)C(=O)O)CCO1
InChIInChI=1S/C10H16N2O7/c1-18-9(16)7-5-12(2-3-19-7)10(17)11-4-6(13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15)
InChIKeyAIEVSACKIGZNMN-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.98
Rot. Bonds4

About 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid

2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 115535386) has the molecular formula C10H16N2O7 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID115535386
Molecular FormulaC10H16N2O7
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CN(C(=O)NCC(O)C(=O)O)CCO1
InChIInChI=1S/C10H16N2O7/c1-18-9(16)7-5-12(2-3-19-7)10(17)11-4-6(13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15)
InChIKeyAIEVSACKIGZNMN-UHFFFAOYSA-N
XLogP-1.98
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (CID 115535386) is 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is COC(=O)C1CN(C(=O)NCC(O)C(=O)O)CCO1.
What is the InChIKey of 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is AIEVSACKIGZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O7/c1-18-9(16)7-5-12(2-3-19-7)10(17)11-4-6(13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15).
What are the key properties of 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 276.25 g/mol, XLogP of -1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115535386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).