methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate

C7H14N2O5 — CID 11830578

IUPACmethyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H](N)CO
InChIInChI=1S/C7H14N2O5/c1-14-7(13)5(3-11)9-6(12)4(8)2-10/h4-5,10-11H,2-3,8H2,1H3,(H,9,12)/t4-,5-/m0/s1
InChIKeyMFTKQBDEKKPBHT-WHFBIAKZSA-N
MW206.20 g/mol
LogP-3.04
Rot. Bonds5

About methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate

methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate (PubChem CID 11830578) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
PubChem CID11830578
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Namemethyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H](N)CO
InChIInChI=1S/C7H14N2O5/c1-14-7(13)5(3-11)9-6(12)4(8)2-10/h4-5,10-11H,2-3,8H2,1H3,(H,9,12)/t4-,5-/m0/s1
InChIKeyMFTKQBDEKKPBHT-WHFBIAKZSA-N
XLogP-3.04
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-3.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate (CID 11830578) is methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate is COC(=O)[C@H](CO)NC(=O)[C@@H](N)CO.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
The InChIKey is MFTKQBDEKKPBHT-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-14-7(13)5(3-11)9-6(12)4(8)2-10/h4-5,10-11H,2-3,8H2,1H3,(H,9,12)/t4-,5-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate?
methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate has a molecular weight of 206.20 g/mol, XLogP of -3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 11830578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).