methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate

C5H10ClNO3 — CID 59377336

IUPACmethyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)NCl
InChIInChI=1S/C5H10ClNO3/c1-5(3-8,7-6)4(9)10-2/h7-8H,3H2,1-2H3
InChIKeyNUPQAQLWINUPOK-UHFFFAOYSA-N
MW167.59 g/mol
LogP-0.35
Rot. Bonds3

About methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate

methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate (PubChem CID 59377336) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
PubChem CID59377336
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Namemethyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(CO)NCl
InChIInChI=1S/C5H10ClNO3/c1-5(3-8,7-6)4(9)10-2/h7-8H,3H2,1-2H3
InChIKeyNUPQAQLWINUPOK-UHFFFAOYSA-N
XLogP-0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride
CID 86659087
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764
methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
CID 81412028
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857
methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;thionyl dichloride;hydrochloride
CID 159097335
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
CID 129202737
methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate
CID 88623685

Frequently Asked Questions

What is the IUPAC name of methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate (CID 59377336) is methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate is COC(=O)C(C)(CO)NCl.
What is the InChIKey of methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate?
The InChIKey is NUPQAQLWINUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3/c1-5(3-8,7-6)4(9)10-2/h7-8H,3H2,1-2H3.
What are the key properties of methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate?
methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate has a molecular weight of 167.59 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 59377336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).