6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid

C15H20N2O3 — CID 60953865

IUPAC6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H20N2O3/c18-14(3-1-2-4-15(19)20)17(13-5-6-13)11-12-7-9-16-10-8-12/h7-10,13H,1-6,11H2,(H,19,20)
InChIKeyCHGBZBAAJNMMAT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.22
Rot. Bonds8

About 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid

6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid (PubChem CID 60953865) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
PubChem CID60953865
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C15H20N2O3/c18-14(3-1-2-4-15(19)20)17(13-5-6-13)11-12-7-9-16-10-8-12/h7-10,13H,1-6,11H2,(H,19,20)
InChIKeyCHGBZBAAJNMMAT-UHFFFAOYSA-N
XLogP2.22
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid (CID 60953865) is 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid?
The InChIKey is CHGBZBAAJNMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(3-1-2-4-15(19)20)17(13-5-6-13)11-12-7-9-16-10-8-12/h7-10,13H,1-6,11H2,(H,19,20).
What are the key properties of 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid?
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 60953865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).