Serinylthreonine zwitterion

Name: Serinylthreonine zwitterion — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₄N₂O₅ — CID 155903250

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S,3R)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxybutanoate

SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]

InChIInChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1

InChIKeyLDEBVRIURYMKQS-WISUUJSJSA-N

MW206.20 g/mol

LogP-4.80

Rot. Bonds5

About Serinylthreonine zwitterion

Serinylthreonine zwitterion (PubChem CID 155903250) has the molecular formula C₇H₁₄N₂O₅ and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxybutanoate.

Molecular Properties

Compound Name	Serinylthreonine zwitterion
PubChem CID	155903250
Molecular Formula	C₇H₁₄N₂O₅
Molecular Weight	206.20 g/mol
Exact Mass	206.09
IUPAC Name	(2S,3R)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxybutanoate
SMILES	C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]
InChI	InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1
InChIKey	LDEBVRIURYMKQS-WISUUJSJSA-N
XLogP	-4.80
TPSA	137.33 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.20
LogP ≤ 5	-4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Serinylthreonine zwitterion?

The IUPAC name of Serinylthreonine zwitterion (CID 155903250) is (2S,3R)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxybutanoate.

What is the SMILES notation for Serinylthreonine zwitterion?

The canonical SMILES for Serinylthreonine zwitterion is C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)[O-].

What is the InChIKey of Serinylthreonine zwitterion?

The InChIKey is LDEBVRIURYMKQS-WISUUJSJSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1.

What are the key properties of Serinylthreonine zwitterion?

Serinylthreonine zwitterion has a molecular weight of 206.20 g/mol, XLogP of -4.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Serinylthreonine zwitterion is sourced from PubChem (CID 155903250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155903250 — identifiers, structure, computed properties (public domain)

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