(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid

C9H16N2O5 — CID 104934111

IUPAC(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5/c12-7(8(13)14)1-2-10-9(15)11-3-5-16-6-4-11/h7,12H,1-6H2,(H,10,15)(H,13,14)/t7-/m0/s1
InChIKeyIQNULYYAXQLAPY-ZETCQYMHSA-N
MW232.24 g/mol
LogP-1.14
Rot. Bonds4

About (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid (PubChem CID 104934111) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
PubChem CID104934111
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5/c12-7(8(13)14)1-2-10-9(15)11-3-5-16-6-4-11/h7,12H,1-6H2,(H,10,15)(H,13,14)/t7-/m0/s1
InChIKeyIQNULYYAXQLAPY-ZETCQYMHSA-N
XLogP-1.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107839880
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-4-(3-azaspiro[5.5]undecane-3-carbonylamino)-2-hydroxybutanoic acid
CID 107839771
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
N-propylmorpholine-4-carboxamide
CID 3410822
(2S)-4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid (CID 104934111) is (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid is O=C(O)[C@@H](O)CCNC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid?
The InChIKey is IQNULYYAXQLAPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O5/c12-7(8(13)14)1-2-10-9(15)11-3-5-16-6-4-11/h7,12H,1-6H2,(H,10,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 104934111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).