2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid

C14H20N2O4 — CID 104644459

IUPAC2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
SMILESCC(O)(CNc1ccc(N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(19,13(17)18)10-15-11-2-4-12(5-3-11)16-6-8-20-9-7-16/h2-5,15,19H,6-10H2,1H3,(H,17,18)
InChIKeyJWDYZGDXCCIFNZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.77
Rot. Bonds5

About 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid

2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid (PubChem CID 104644459) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
PubChem CID104644459
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
SMILESCC(O)(CNc1ccc(N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(19,13(17)18)10-15-11-2-4-12(5-3-11)16-6-8-20-9-7-16/h2-5,15,19H,6-10H2,1H3,(H,17,18)
InChIKeyJWDYZGDXCCIFNZ-UHFFFAOYSA-N
XLogP0.77
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid (CID 104644459) is 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid is CC(O)(CNc1ccc(N2CCOCC2)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid?
The InChIKey is JWDYZGDXCCIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(19,13(17)18)10-15-11-2-4-12(5-3-11)16-6-8-20-9-7-16/h2-5,15,19H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid?
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid is sourced from PubChem (CID 104644459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).