3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride

C7H16Cl2N2O7S — CID 167621204

IUPAC3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride
SMILESCOC(=O)C(O)CN.NCC(O)C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C4H9NO3.C3H7NO3.Cl2OS/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7;1-4(2)3/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7);
InChIKeyMLQZERMIBJTMGN-UHFFFAOYSA-N
MW343.19 g/mol
LogP-2.09
Rot. Bonds4

About 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride

3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride (PubChem CID 167621204) has the molecular formula C7H16Cl2N2O7S and a molecular weight of 343.19 g/mol. Its IUPAC name is 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride.

Molecular Properties

Compound Name3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride
PubChem CID167621204
Molecular FormulaC7H16Cl2N2O7S
Molecular Weight343.19 g/mol
Exact Mass342.01
IUPAC Name3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride
SMILESCOC(=O)C(O)CN.NCC(O)C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C4H9NO3.C3H7NO3.Cl2OS/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7;1-4(2)3/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7);
InChIKeyMLQZERMIBJTMGN-UHFFFAOYSA-N
XLogP-2.09
TPSA173.17 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-methyl 3-amino-2-hydroxypropanoate hydrochloride
CID 71757488
Methyl 3-amino-2-hydroxypropanoate hydrochloride
CID 71757671
Tert-butyl 3-amino-2-hydroxypropanoate hydrochloride
CID 137963978
methyl (2R)-3-amino-2-hydroxypropanoate
CID 11665404
3-Amino-2-(3-amino-2-hydroxypropanoyl)oxypropanoic acid
CID 53635769
Methyl 3-amino-2-hydroxypropanoate
CID 11105589
(2-Hydroxy-3-methoxy-3-oxopropyl)azanium chloride
CID 11105588
Acetic acid;3-amino-2-hydroxypropanoic acid
CID 22281162
(2S)-3-amino-2-[(2S)-3-amino-2-hydroxypropanoyl]oxypropanoic acid
CID 53635766
(2R)-3-amino-2-[(2R)-3-amino-2-hydroxypropanoyl]oxypropanoic acid
CID 53635767
3-amino-2-[(2R)-3-amino-2-hydroxypropanoyl]oxypropanoic acid
CID 53635768
(S)-Methyl 3-amino-2-hydroxypropanoate
CID 54031387

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride?
The IUPAC name of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride (CID 167621204) is 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride.
What is the SMILES notation for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride?
The canonical SMILES for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride is COC(=O)C(O)CN.NCC(O)C(=O)O.O=S(Cl)Cl.
What is the InChIKey of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride?
The InChIKey is MLQZERMIBJTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C3H7NO3.Cl2OS/c1-8-4(7)3(6)2-5;4-1-2(5)3(6)7;1-4(2)3/h3,6H,2,5H2,1H3;2,5H,1,4H2,(H,6,7);.
What are the key properties of 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride?
3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride has a molecular weight of 343.19 g/mol, XLogP of -2.09, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride is sourced from PubChem (CID 167621204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).