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

C9H18N2O3 — CID 5287779

IUPACtert-butyl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1
InChIKeyVVOPSEUXHSUTJS-LURJTMIESA-N
MW202.25 g/mol
LogP-0.08
Rot. Bonds4

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

tert-butyl (2S)-2,5-diamino-5-oxopentanoate (PubChem CID 5287779) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl (2S)-2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2,5-diamino-5-oxopentanoate
PubChem CID5287779
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1
InChIKeyVVOPSEUXHSUTJS-LURJTMIESA-N
XLogP-0.08
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.08
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?
The IUPAC name of tert-butyl (2S)-2,5-diamino-5-oxopentanoate (CID 5287779) is tert-butyl (2S)-2,5-diamino-5-oxopentanoate.
What is the SMILES notation for tert-butyl (2S)-2,5-diamino-5-oxopentanoate?
The canonical SMILES for tert-butyl (2S)-2,5-diamino-5-oxopentanoate is CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of tert-butyl (2S)-2,5-diamino-5-oxopentanoate?
The InChIKey is VVOPSEUXHSUTJS-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1.
What are the key properties of tert-butyl (2S)-2,5-diamino-5-oxopentanoate?
tert-butyl (2S)-2,5-diamino-5-oxopentanoate has a molecular weight of 202.25 g/mol, XLogP of -0.08, 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 is sourced from PubChem (CID 5287779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).