2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid

C20H24N2O5 — CID 119219249

IUPAC2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
SMILESCC(C)NC(=O)CCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C20H24N2O5/c1-13(2)21-18(23)8-5-9-19(24)22-16-10-11-17(27-12-20(25)26)15-7-4-3-6-14(15)16/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyMIQUSGXXVWQULD-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.94
Rot. Bonds9

About 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid

2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid (PubChem CID 119219249) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
PubChem CID119219249
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
SMILESCC(C)NC(=O)CCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C20H24N2O5/c1-13(2)21-18(23)8-5-9-19(24)22-16-10-11-17(27-12-20(25)26)15-7-4-3-6-14(15)16/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyMIQUSGXXVWQULD-UHFFFAOYSA-N
XLogP2.94
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid (CID 119219249) is 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid is CC(C)NC(=O)CCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is MIQUSGXXVWQULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)21-18(23)8-5-9-19(24)22-16-10-11-17(27-12-20(25)26)15-7-4-3-6-14(15)16/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid?
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 372.42 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).