(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride

C6H13ClN2O4 — CID 171935544

IUPAC(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
SMILESCl.NCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4.ClH/c7-1-2-8-4(6(11)12)3-5(9)10;/h4,8H,1-3,7H2,(H,9,10)(H,11,12);1H/t4-;/m0./s1
InChIKeyRXPUTIQENYMBFY-WCCKRBBISA-N
MW212.63 g/mol
LogP-1.12
Rot. Bonds6

About (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride

(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride (PubChem CID 171935544) has the molecular formula C6H13ClN2O4 and a molecular weight of 212.63 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
PubChem CID171935544
Molecular FormulaC6H13ClN2O4
Molecular Weight212.63 g/mol
Exact Mass212.06
IUPAC Name(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
SMILESCl.NCCN[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4.ClH/c7-1-2-8-4(6(11)12)3-5(9)10;/h4,8H,1-3,7H2,(H,9,10)(H,11,12);1H/t4-;/m0./s1
InChIKeyRXPUTIQENYMBFY-WCCKRBBISA-N
XLogP-1.12
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
2-(2-aminoethylamino)-4-oxopentanoic acid
CID 59927928
2-[2-[2-[2-(1,2-dicarboxyethylamino)ethoxy]ethoxy]ethylamino]butanedioic acid;hydrochloride
CID 154696995
(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid
CID 152756500
2-(dodecylamino)butanedioic acid;hydrochloride
CID 174594620
(2S)-2-[(3-amino-2-hydroxypropyl)amino]butanedioic acid
CID 131850253
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
(2S)-2-[6-(methylamino)hexylamino]butanedioic acid
CID 131850258
2-[2-[(1-carboxy-3-oxopropan-2-yl)amino]ethylamino]butanedioic acid
CID 144764828
2-(decylamino)butanedioic acid
CID 11162902
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride?
The IUPAC name of (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride (CID 171935544) is (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride?
The canonical SMILES for (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride is Cl.NCCN[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride?
The InChIKey is RXPUTIQENYMBFY-WCCKRBBISA-N. The full InChI is InChI=1S/C6H12N2O4.ClH/c7-1-2-8-4(6(11)12)3-5(9)10;/h4,8H,1-3,7H2,(H,9,10)(H,11,12);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride?
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride has a molecular weight of 212.63 g/mol, XLogP of -1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride is sourced from PubChem (CID 171935544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).