(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid

C11H18N2O7 — CID 107828590

IUPAC(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCOC(=O)C1CN(C(=O)N[C@@H](CCO)C(=O)O)CCO1
InChIInChI=1S/C11H18N2O7/c1-19-10(17)8-6-13(3-5-20-8)11(18)12-7(2-4-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)/t7-,8?/m0/s1
InChIKeyOEDPOCZCKMFQQA-JAMMHHFISA-N
MW290.27 g/mol
LogP-1.59
Rot. Bonds5

About (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 107828590) has the molecular formula C11H18N2O7 and a molecular weight of 290.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID107828590
Molecular FormulaC11H18N2O7
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCOC(=O)C1CN(C(=O)N[C@@H](CCO)C(=O)O)CCO1
InChIInChI=1S/C11H18N2O7/c1-19-10(17)8-6-13(3-5-20-8)11(18)12-7(2-4-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)/t7-,8?/m0/s1
InChIKeyOEDPOCZCKMFQQA-JAMMHHFISA-N
XLogP-1.59
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid (CID 107828590) is (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid is COC(=O)C1CN(C(=O)N[C@@H](CCO)C(=O)O)CCO1.
What is the InChIKey of (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is OEDPOCZCKMFQQA-JAMMHHFISA-N. The full InChI is InChI=1S/C11H18N2O7/c1-19-10(17)8-6-13(3-5-20-8)11(18)12-7(2-4-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)/t7-,8?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 290.27 g/mol, XLogP of -1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107828590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).