potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide

C5H9KN2O3 — CID 169045872

IUPACpotassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide
SMILES[K+].[NH-][C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C5H9N2O3.K/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H2,7,8)(H,9,10);/q-1;+1/t3-;/m0./s1
InChIKeyWOCNLDSBUORHCX-DFWYDOINSA-N
MW184.24 g/mol
LogP-3.24
Rot. Bonds4

About potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide

potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide (PubChem CID 169045872) has the molecular formula C5H9KN2O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide.

Molecular Properties

Compound Namepotassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide
PubChem CID169045872
Molecular FormulaC5H9KN2O3
Molecular Weight184.24 g/mol
Exact Mass184.03
IUPAC Namepotassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide
SMILES[K+].[NH-][C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C5H9N2O3.K/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H2,7,8)(H,9,10);/q-1;+1/t3-;/m0./s1
InChIKeyWOCNLDSBUORHCX-DFWYDOINSA-N
XLogP-3.24
TPSA104.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide?
The IUPAC name of potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide (CID 169045872) is potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide.
What is the SMILES notation for potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide?
The canonical SMILES for potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide is [K+].[NH-][C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide?
The InChIKey is WOCNLDSBUORHCX-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9N2O3.K/c6-3(5(9)10)1-2-4(7)8;/h3,6H,1-2H2,(H2,7,8)(H,9,10);/q-1;+1/t3-;/m0./s1.
What are the key properties of potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide?
potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide has a molecular weight of 184.24 g/mol, XLogP of -3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(1S)-4-amino-1-carboxy-4-oxobutyl]azanide is sourced from PubChem (CID 169045872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).