(4R)-4-amino-5-oxohept-6-enoic acid

C7H11NO3 — CID 89012097

IUPAC(4R)-4-amino-5-oxohept-6-enoic acid
SMILESC=CC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-6(9)5(8)3-4-7(10)11/h2,5H,1,3-4,8H2,(H,10,11)/t5-/m1/s1
InChIKeyWWUNAAWFCRFLRK-RXMQYKEDSA-N
MW157.17 g/mol
LogP-0.07
Rot. Bonds5

About (4R)-4-amino-5-oxohept-6-enoic acid

(4R)-4-amino-5-oxohept-6-enoic acid (PubChem CID 89012097) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4R)-4-amino-5-oxohept-6-enoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-oxohept-6-enoic acid
PubChem CID89012097
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4R)-4-amino-5-oxohept-6-enoic acid
SMILESC=CC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-6(9)5(8)3-4-7(10)11/h2,5H,1,3-4,8H2,(H,10,11)/t5-/m1/s1
InChIKeyWWUNAAWFCRFLRK-RXMQYKEDSA-N
XLogP-0.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-oxohept-6-enoic acid?
The IUPAC name of (4R)-4-amino-5-oxohept-6-enoic acid (CID 89012097) is (4R)-4-amino-5-oxohept-6-enoic acid.
What is the SMILES notation for (4R)-4-amino-5-oxohept-6-enoic acid?
The canonical SMILES for (4R)-4-amino-5-oxohept-6-enoic acid is C=CC(=O)[C@H](N)CCC(=O)O.
What is the InChIKey of (4R)-4-amino-5-oxohept-6-enoic acid?
The InChIKey is WWUNAAWFCRFLRK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)5(8)3-4-7(10)11/h2,5H,1,3-4,8H2,(H,10,11)/t5-/m1/s1.
What are the key properties of (4R)-4-amino-5-oxohept-6-enoic acid?
(4R)-4-amino-5-oxohept-6-enoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-oxohept-6-enoic acid is sourced from PubChem (CID 89012097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).