5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid

C17H19NO5 — CID 175124384

IUPAC5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
SMILESNCC(=O)CCC(=O)O.O=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C5H9NO3/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;6-3-4(7)1-2-5(8)9/h1-7H,8H2,(H,13,14);1-3,6H2,(H,8,9)
InChIKeyWZARUGVYYMDVLH-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.85
Rot. Bonds6

About 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid

5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid (PubChem CID 175124384) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
PubChem CID175124384
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
SMILESNCC(=O)CCC(=O)O.O=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C5H9NO3/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;6-3-4(7)1-2-5(8)9/h1-7H,8H2,(H,13,14);1-3,6H2,(H,8,9)
InChIKeyWZARUGVYYMDVLH-UHFFFAOYSA-N
XLogP1.85
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
5-(15N)azanyl-4-oxopentanoic acid
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1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
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CID 175351953
8-amino-4,7-dioxooctanoic acid
CID 161356163
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid?
The IUPAC name of 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid (CID 175124384) is 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid?
The canonical SMILES for 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid is NCC(=O)CCC(=O)O.O=C(O)Cc1cccc2ccccc12.
What is the InChIKey of 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid?
The InChIKey is WZARUGVYYMDVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C5H9NO3/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;6-3-4(7)1-2-5(8)9/h1-7H,8H2,(H,13,14);1-3,6H2,(H,8,9).
What are the key properties of 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid?
5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid has a molecular weight of 317.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 175124384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).