methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate

C8H15NO4 — CID 6636192

IUPACmethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@@H](C)CO
InChIInChI=1S/C8H15NO4/c1-5(4-10)7(11)9-6(2)8(12)13-3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyDTCFOPQQKNHXNY-WDSKDSINSA-N
MW189.21 g/mol
LogP-0.71
Rot. Bonds4

About methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate

methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate (PubChem CID 6636192) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate
PubChem CID6636192
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)[C@@H](C)CO
InChIInChI=1S/C8H15NO4/c1-5(4-10)7(11)9-6(2)8(12)13-3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyDTCFOPQQKNHXNY-WDSKDSINSA-N
XLogP-0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate (CID 6636192) is methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)[C@@H](C)CO.
What is the InChIKey of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate?
The InChIKey is DTCFOPQQKNHXNY-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(4-10)7(11)9-6(2)8(12)13-3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate?
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate has a molecular weight of 189.21 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoate is sourced from PubChem (CID 6636192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).