5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid

C11H17NO4 — CID 166254543

IUPAC5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1=CCOCC1
InChIInChI=1S/C11H17NO4/c13-10(14)3-1-2-6-12-11(15)9-4-7-16-8-5-9/h4H,1-3,5-8H2,(H,12,15)(H,13,14)
InChIKeyWPJUPVQZJHBJKJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.70
Rot. Bonds6

About 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid

5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid (PubChem CID 166254543) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid
PubChem CID166254543
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)C1=CCOCC1
InChIInChI=1S/C11H17NO4/c13-10(14)3-1-2-6-12-11(15)9-4-7-16-8-5-9/h4H,1-3,5-8H2,(H,12,15)(H,13,14)
InChIKeyWPJUPVQZJHBJKJ-UHFFFAOYSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
7-[[4-(oxan-4-yloxy)benzoyl]amino]heptanoic acid
CID 119227603
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 62031929
5-[(3-chloro-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 167823460

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid (CID 166254543) is 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid is O=C(O)CCCCNC(=O)C1=CCOCC1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid?
The InChIKey is WPJUPVQZJHBJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(14)3-1-2-6-12-11(15)9-4-7-16-8-5-9/h4H,1-3,5-8H2,(H,12,15)(H,13,14).
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid?
5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 166254543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).