Methyl (2R)-2,4-diaminobutanoate;dihydrochloride

Name: Methyl (2R)-2,4-diaminobutanoate;dihydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₁₄Cl₂N₂O₂ — CID 155920841

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

IUPACmethyl (2R)-2,4-diaminobutanoate;dihydrochloride

SMILESCOC(=O)[C@H](N)CCN.Cl.Cl

InChIInChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1

InChIKeyBGFZBYKHHGUPSG-RZFWHQLPSA-N

MW205.08 g/mol

LogP-0.32

Rot. Bonds3

About Methyl (2R)-2,4-diaminobutanoate;dihydrochloride

Methyl (2R)-2,4-diaminobutanoate;dihydrochloride (PubChem CID 155920841) has the molecular formula C₅H₁₄Cl₂N₂O₂ and a molecular weight of 205.08 g/mol. Its IUPAC name is methyl (2R)-2,4-diaminobutanoate;dihydrochloride.

Molecular Properties

Compound Name	Methyl (2R)-2,4-diaminobutanoate;dihydrochloride
PubChem CID	155920841
Molecular Formula	C₅H₁₄Cl₂N₂O₂
Molecular Weight	205.08 g/mol
Exact Mass	204.04
IUPAC Name	methyl (2R)-2,4-diaminobutanoate;dihydrochloride
SMILES	COC(=O)[C@H](N)CCN.Cl.Cl
InChI	InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1
InChIKey	BGFZBYKHHGUPSG-RZFWHQLPSA-N
XLogP	-0.32
TPSA	78.34 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.08
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl (2R)-2,4-diaminobutanoate;dihydrochloride?

The IUPAC name of Methyl (2R)-2,4-diaminobutanoate;dihydrochloride (CID 155920841) is methyl (2R)-2,4-diaminobutanoate;dihydrochloride.

What is the SMILES notation for Methyl (2R)-2,4-diaminobutanoate;dihydrochloride?

The canonical SMILES for Methyl (2R)-2,4-diaminobutanoate;dihydrochloride is COC(=O)[C@H](N)CCN.Cl.Cl.

What is the InChIKey of Methyl (2R)-2,4-diaminobutanoate;dihydrochloride?

The InChIKey is BGFZBYKHHGUPSG-RZFWHQLPSA-N. The full InChI is InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H/t4-;;/m1../s1.

What are the key properties of Methyl (2R)-2,4-diaminobutanoate;dihydrochloride?

Methyl (2R)-2,4-diaminobutanoate;dihydrochloride has a molecular weight of 205.08 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (2R)-2,4-diaminobutanoate;dihydrochloride is sourced from PubChem (CID 155920841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155920841 — identifiers, structure, computed properties (public domain)

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