4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid

C10H18N2O5 — CID 61227566

IUPAC4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1COCCN1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-7-6-17-5-3-12(7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyPLUMBCHDAAYHTE-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds4

About 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid

4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61227566) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61227566
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1COCCN1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-7-6-17-5-3-12(7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyPLUMBCHDAAYHTE-UHFFFAOYSA-N
XLogP-0.75
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826658
(2R)-4-hydroxy-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 107828367
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid (CID 61227566) is 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid is CC1COCCN1C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is PLUMBCHDAAYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-7-6-17-5-3-12(7)10(16)11-8(2-4-13)9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).