tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride

C9H19ClN2O3 — CID 15602445

IUPACtert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(N)=O.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H/t6-;/m0./s1
InChIKeyZEPNUNKDKQACNC-RGMNGODLSA-N
MW238.71 g/mol
LogP0.34
Rot. Bonds4

About tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride

tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride (PubChem CID 15602445) has the molecular formula C9H19ClN2O3 and a molecular weight of 238.71 g/mol. Its IUPAC name is tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride
PubChem CID15602445
Molecular FormulaC9H19ClN2O3
Molecular Weight238.71 g/mol
Exact Mass238.11
IUPAC Nametert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(N)=O.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H/t6-;/m0./s1
InChIKeyZEPNUNKDKQACNC-RGMNGODLSA-N
XLogP0.34
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride (CID 15602445) is tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride is CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O.Cl.
What is the InChIKey of tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride?
The InChIKey is ZEPNUNKDKQACNC-RGMNGODLSA-N. The full InChI is InChI=1S/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H/t6-;/m0./s1.
What are the key properties of tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride?
tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride has a molecular weight of 238.71 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2,5-diamino-5-oxopentanoate;hydrochloride is sourced from PubChem (CID 15602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).