(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid

C9H17NO3 — CID 173065894

IUPAC(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid
SMILESCCN[C@@H](CO)CCC=CC(=O)O
InChIInChI=1S/C9H17NO3/c1-2-10-8(7-11)5-3-4-6-9(12)13/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDWJSWQRKHRUMQY-MRVPVSSYSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds7

About (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid

(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid (PubChem CID 173065894) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid.

Molecular Properties

Compound Name(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid
PubChem CID173065894
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid
SMILESCCN[C@@H](CO)CCC=CC(=O)O
InChIInChI=1S/C9H17NO3/c1-2-10-8(7-11)5-3-4-6-9(12)13/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDWJSWQRKHRUMQY-MRVPVSSYSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
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 (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid?
The IUPAC name of (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid (CID 173065894) is (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid.
What is the SMILES notation for (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid?
The canonical SMILES for (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid is CCN[C@@H](CO)CCC=CC(=O)O.
What is the InChIKey of (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid?
The InChIKey is DWJSWQRKHRUMQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-10-8(7-11)5-3-4-6-9(12)13/h4,6,8,10-11H,2-3,5,7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid?
(6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(ethylamino)-7-hydroxyhept-2-enoic acid is sourced from PubChem (CID 173065894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).