(2S)-5-amino-2-azaniumyl-5-oxopentanoate

C5H10N2O3 — CID 6992086

💊View drug profile → glutamine
IUPAC(2S)-5-amino-2-azaniumyl-5-oxopentanoate
SMILESNC(=O)CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
MW146.15 g/mol
LogP-3.39
Rot. Bonds4

About (2S)-5-amino-2-azaniumyl-5-oxopentanoate

(2S)-5-amino-2-azaniumyl-5-oxopentanoate (PubChem CID 6992086) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S)-5-amino-2-azaniumyl-5-oxopentanoate.

Molecular Properties

Compound Name(2S)-5-amino-2-azaniumyl-5-oxopentanoate
PubChem CID6992086
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S)-5-amino-2-azaniumyl-5-oxopentanoate
SMILESNC(=O)CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
XLogP-3.39
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-azaniumyl-5-oxopentanoate?
The IUPAC name of (2S)-5-amino-2-azaniumyl-5-oxopentanoate (CID 6992086) is (2S)-5-amino-2-azaniumyl-5-oxopentanoate.
What is the SMILES notation for (2S)-5-amino-2-azaniumyl-5-oxopentanoate?
The canonical SMILES for (2S)-5-amino-2-azaniumyl-5-oxopentanoate is NC(=O)CC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-5-amino-2-azaniumyl-5-oxopentanoate?
The InChIKey is ZDXPYRJPNDTMRX-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-5-amino-2-azaniumyl-5-oxopentanoate?
(2S)-5-amino-2-azaniumyl-5-oxopentanoate has a molecular weight of 146.15 g/mol, XLogP of -3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-azaniumyl-5-oxopentanoate is sourced from PubChem (CID 6992086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).