ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride

C9H19ClN2O3S — CID 6603394

IUPACethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride
SMILESCCOC(=O)C(CCSC)NC(=O)CN.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-3-14-9(13)7(4-5-15-2)11-8(12)6-10;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyBTQACRHQEKQTNA-UHFFFAOYSA-N
MW270.78 g/mol
LogP0.17
Rot. Bonds7

About ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride

ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride (PubChem CID 6603394) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride
PubChem CID6603394
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride
SMILESCCOC(=O)C(CCSC)NC(=O)CN.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-3-14-9(13)7(4-5-15-2)11-8(12)6-10;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
InChIKeyBTQACRHQEKQTNA-UHFFFAOYSA-N
XLogP0.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride?
The IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride (CID 6603394) is ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride?
The canonical SMILES for ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride is CCOC(=O)C(CCSC)NC(=O)CN.Cl.
What is the InChIKey of ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride?
The InChIKey is BTQACRHQEKQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-3-14-9(13)7(4-5-15-2)11-8(12)6-10;/h7H,3-6,10H2,1-2H3,(H,11,12);1H.
What are the key properties of ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride?
ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate;hydrochloride is sourced from PubChem (CID 6603394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).