(4S)-4-amino-5-oxopentanoate

C5H8NO3- — CID 16722117

IUPAC(4S)-4-amino-5-oxopentanoate
SMILESN[C@H](C=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyMPUUQNGXJSEWTF-BYPYZUCNSA-M
MW130.12 g/mol
LogP-1.96
Rot. Bonds4

About (4S)-4-amino-5-oxopentanoate

(4S)-4-amino-5-oxopentanoate (PubChem CID 16722117) has the molecular formula C5H8NO3- and a molecular weight of 130.12 g/mol. Its IUPAC name is (4S)-4-amino-5-oxopentanoate.

Molecular Properties

Compound Name(4S)-4-amino-5-oxopentanoate
PubChem CID16722117
Molecular FormulaC5H8NO3-
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name(4S)-4-amino-5-oxopentanoate
SMILESN[C@H](C=O)CCC(=O)[O-]
InChIInChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyMPUUQNGXJSEWTF-BYPYZUCNSA-M
XLogP-1.96
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-oxopentanoic acid;dihydrochloride
CID 23172563
(4S)-4-amino-5-oxopentanoic acid;methane
CID 162048399
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
CID 138742930

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxopentanoate?
The IUPAC name of (4S)-4-amino-5-oxopentanoate (CID 16722117) is (4S)-4-amino-5-oxopentanoate.
What is the SMILES notation for (4S)-4-amino-5-oxopentanoate?
The canonical SMILES for (4S)-4-amino-5-oxopentanoate is N[C@H](C=O)CCC(=O)[O-].
What is the InChIKey of (4S)-4-amino-5-oxopentanoate?
The InChIKey is MPUUQNGXJSEWTF-BYPYZUCNSA-M. The full InChI is InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/p-1/t4-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxopentanoate?
(4S)-4-amino-5-oxopentanoate has a molecular weight of 130.12 g/mol, XLogP of -1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxopentanoate is sourced from PubChem (CID 16722117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).