chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide

C4H7ClNO2- — CID 59479666

IUPACchloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide
SMILESCOC(=O)[C@H](C)[N-]Cl
InChIInChI=1S/C4H7ClNO2/c1-3(6-5)4(7)8-2/h3H,1-2H3/q-1/t3-/m0/s1
InChIKeyBRBQIZGZTMKIRC-VKHMYHEASA-N
MW136.56 g/mol
LogP1.08
Rot. Bonds2

About chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide

chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide (PubChem CID 59479666) has the molecular formula C4H7ClNO2- and a molecular weight of 136.56 g/mol. Its IUPAC name is chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide.

Molecular Properties

Compound Namechloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide
PubChem CID59479666
Molecular FormulaC4H7ClNO2-
Molecular Weight136.56 g/mol
Exact Mass136.02
IUPAC Namechloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide
SMILESCOC(=O)[C@H](C)[N-]Cl
InChIInChI=1S/C4H7ClNO2/c1-3(6-5)4(7)8-2/h3H,1-2H3/q-1/t3-/m0/s1
InChIKeyBRBQIZGZTMKIRC-VKHMYHEASA-N
XLogP1.08
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.56
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-chloropropanoate;stannane
CID 173428193
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
methyl 4-chloro-2-methyl-3-oxobutanoate
CID 87134668
methyl 2-methylselanylpropanoate
CID 134856861
methyl (2S,3R)-4-chloro-2,3-dimethyl-4-oxobutanoate
CID 131844171
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
methanol;methyl 2-hydroxypropanoate
CID 157321309

Frequently Asked Questions

What is the IUPAC name of chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide?
The IUPAC name of chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide (CID 59479666) is chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide.
What is the SMILES notation for chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide?
The canonical SMILES for chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide is COC(=O)[C@H](C)[N-]Cl.
What is the InChIKey of chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide?
The InChIKey is BRBQIZGZTMKIRC-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7ClNO2/c1-3(6-5)4(7)8-2/h3H,1-2H3/q-1/t3-/m0/s1.
What are the key properties of chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide?
chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide has a molecular weight of 136.56 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2S)-1-methoxy-1-oxopropan-2-yl]azanide is sourced from PubChem (CID 59479666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).