3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C15H20ClN3O5 — CID 122074139

IUPAC3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C15H20ClN3O5/c1-15(23,13(20)21)9-17-14(22)18-11-8-10(16)2-3-12(11)19-4-6-24-7-5-19/h2-3,8,23H,4-7,9H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyMEEZYBICZXSATA-UHFFFAOYSA-N
MW357.79 g/mol
LogP1.13
Rot. Bonds5

About 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122074139) has the molecular formula C15H20ClN3O5 and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122074139
Molecular FormulaC15H20ClN3O5
Molecular Weight357.79 g/mol
Exact Mass357.11
IUPAC Name3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C15H20ClN3O5/c1-15(23,13(20)21)9-17-14(22)18-11-8-10(16)2-3-12(11)19-4-6-24-7-5-19/h2-3,8,23H,4-7,9H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyMEEZYBICZXSATA-UHFFFAOYSA-N
XLogP1.13
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079562
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
CID 55770674

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122074139) is 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MEEZYBICZXSATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O5/c1-15(23,13(20)21)9-17-14(22)18-11-8-10(16)2-3-12(11)19-4-6-24-7-5-19/h2-3,8,23H,4-7,9H2,1H3,(H,20,21)(H2,17,18,22).
What are the key properties of 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 357.79 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122074139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).