5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid

C14H17NO4 — CID 43580055

IUPAC5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H17NO4/c16-13(6-3-7-14(17)18)15-11-8-9-19-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16)(H,17,18)
InChIKeyLFKBLOFZQODSPO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.88
Rot. Bonds5

About 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid

5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid (PubChem CID 43580055) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
PubChem CID43580055
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H17NO4/c16-13(6-3-7-14(17)18)15-11-8-9-19-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16)(H,17,18)
InChIKeyLFKBLOFZQODSPO-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 41036701
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-cyclopropyl-4-[[N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111316036
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid (CID 43580055) is 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid?
The InChIKey is LFKBLOFZQODSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(6-3-7-14(17)18)15-11-8-9-19-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16)(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid?
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43580055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).