(4S)-4-(methoxyamino)-5-oxopentanoic acid

C6H11NO4 — CID 118398676

IUPAC(4S)-4-(methoxyamino)-5-oxopentanoic acid
SMILESCON[C@H](C=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-7-5(4-8)2-3-6(9)10/h4-5,7H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyHTEKFQCEAVJOMY-YFKPBYRVSA-N
MW161.16 g/mol
LogP-0.43
Rot. Bonds6

About (4S)-4-(methoxyamino)-5-oxopentanoic acid

(4S)-4-(methoxyamino)-5-oxopentanoic acid (PubChem CID 118398676) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4S)-4-(methoxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-(methoxyamino)-5-oxopentanoic acid
PubChem CID118398676
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(4S)-4-(methoxyamino)-5-oxopentanoic acid
SMILESCON[C@H](C=O)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-7-5(4-8)2-3-6(9)10/h4-5,7H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyHTEKFQCEAVJOMY-YFKPBYRVSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
(4S)-4-(carboxymethylamino)-5-oxopentanoic acid
CID 177256795
5-oxo-4-[(2-sulfanylacetyl)amino]pentanoic acid
CID 172694165
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
2-(methoxyamino)-4-methylpentanal
CID 18004474
14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid
CID 145026904
(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
CID 122462104
(4S)-4-(2-ethylhexylamino)-5-oxopentanoic acid
CID 90948928
(4R)-4-[[(1S,4aR,7aS)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxyamino]-5-oxopentanoic acid
CID 58636146
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
4-formyl-5-methylhexanoic acid
CID 141229887
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxyamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-(methoxyamino)-5-oxopentanoic acid (CID 118398676) is (4S)-4-(methoxyamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-(methoxyamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-(methoxyamino)-5-oxopentanoic acid is CON[C@H](C=O)CCC(=O)O.
What is the InChIKey of (4S)-4-(methoxyamino)-5-oxopentanoic acid?
The InChIKey is HTEKFQCEAVJOMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO4/c1-11-7-5(4-8)2-3-6(9)10/h4-5,7H,2-3H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (4S)-4-(methoxyamino)-5-oxopentanoic acid?
(4S)-4-(methoxyamino)-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 118398676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).