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

C10H16N2O7 — CID 104774698

IUPAC3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-18-9(16)7-5-19-3-2-12(7)10(17)11-6(4-13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15)
InChIKeyTYCMNAVOMIUWCR-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.98
Rot. Bonds4

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

3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 104774698) has the molecular formula C10H16N2O7 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID104774698
Molecular FormulaC10H16N2O7
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H16N2O7/c1-18-9(16)7-5-19-3-2-12(7)10(17)11-6(4-13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15)
InChIKeyTYCMNAVOMIUWCR-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

(2S)-3-hydroxy-2-[[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104546
3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 104774758
3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774823
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (CID 104774698) is 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is COC(=O)C1COCCN1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is TYCMNAVOMIUWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O7/c1-18-9(16)7-5-19-3-2-12(7)10(17)11-6(4-13)8(14)15/h6-7,13H,2-5H2,1H3,(H,11,17)(H,14,15).
What are the key properties of 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(3-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 3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).