(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate

C6H8NO6- — CID 102516015

IUPAC(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
SMILESO=C([O-])CC[C@H](NC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)2-1-3(5(10)11)7-6(12)13/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-1/t3-/m0/s1
InChIKeyYMBIICKZNSTXJA-VKHMYHEASA-M
MW190.13 g/mol
LogP-1.76
Rot. Bonds5

About (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate

(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate (PubChem CID 102516015) has the molecular formula C6H8NO6- and a molecular weight of 190.13 g/mol. Its IUPAC name is (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Name(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
PubChem CID102516015
Molecular FormulaC6H8NO6-
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
SMILESO=C([O-])CC[C@H](NC(=O)O)C(=O)O
InChIInChI=1S/C6H9NO6/c8-4(9)2-1-3(5(10)11)7-6(12)13/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-1/t3-/m0/s1
InChIKeyYMBIICKZNSTXJA-VKHMYHEASA-M
XLogP-1.76
TPSA126.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate?
The IUPAC name of (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate (CID 102516015) is (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate?
The canonical SMILES for (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate is O=C([O-])CC[C@H](NC(=O)O)C(=O)O.
What is the InChIKey of (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate?
The InChIKey is YMBIICKZNSTXJA-VKHMYHEASA-M. The full InChI is InChI=1S/C6H9NO6/c8-4(9)2-1-3(5(10)11)7-6(12)13/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/p-1/t3-/m0/s1.
What are the key properties of (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate?
(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate has a molecular weight of 190.13 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 102516015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).