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

C10H18N2O6 — CID 114007756

IUPAC2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESO=C(O)C(O)CCNC(=O)N1CCOCC1CO
InChIInChI=1S/C10H18N2O6/c13-5-7-6-18-4-3-12(7)10(17)11-2-1-8(14)9(15)16/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16)
InChIKeyMVQBXXPGECUYGN-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.78
Rot. Bonds5

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

2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid (PubChem CID 114007756) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
PubChem CID114007756
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
SMILESO=C(O)C(O)CCNC(=O)N1CCOCC1CO
InChIInChI=1S/C10H18N2O6/c13-5-7-6-18-4-3-12(7)10(17)11-2-1-8(14)9(15)16/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16)
InChIKeyMVQBXXPGECUYGN-UHFFFAOYSA-N
XLogP-1.78
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 114007247
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2S)-2-hydroxy-4-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 107841420
(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107839880
(2S)-4-[(2,5-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838466
N-butyl-3-(2-hydroxyethyl)morpholine-4-carboxamide
CID 75443356
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855644

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid (CID 114007756) is 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid is O=C(O)C(O)CCNC(=O)N1CCOCC1CO.
What is the InChIKey of 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
The InChIKey is MVQBXXPGECUYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c13-5-7-6-18-4-3-12(7)10(17)11-2-1-8(14)9(15)16/h7-8,13-14H,1-6H2,(H,11,17)(H,15,16).
What are the key properties of 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid?
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid has a molecular weight of 262.26 g/mol, XLogP of -1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 114007756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).