3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene

C19H21NO6 — CID 70085689

IUPAC3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
SMILESCC(=O)NC(CC(=O)O)C(=O)COC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H13NO6/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(11)10-7(3-9(14)15)8(13)4-16-6(2)12/h1-8H;7H,3-4H2,1-2H3,(H,10,11)(H,14,15)
InChIKeyOJFWXWSHKMPYOR-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.94
Rot. Bonds6

About 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene

3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene (PubChem CID 70085689) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene.

Molecular Properties

Compound Name3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
PubChem CID70085689
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
SMILESCC(=O)NC(CC(=O)O)C(=O)COC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C9H13NO6/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(11)10-7(3-9(14)15)8(13)4-16-6(2)12/h1-8H;7H,3-4H2,1-2H3,(H,10,11)(H,14,15)
InChIKeyOJFWXWSHKMPYOR-UHFFFAOYSA-N
XLogP1.94
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
CID 67578272
3-[2-[(2-acetamido-4-phenylbutanoyl)amino]propanoylamino]-5-acetyloxy-4-oxopentanoic acid;naphthalene
CID 70085404
5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene
CID 70083721
5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70083852
3-(2-acetamidobutanoylamino)-5-(2-naphthalen-1-ylacetyl)oxy-4-oxopentanoic acid
CID 54523917
5-acetyloxy-3-(methoxycarbonylamino)-4-oxopentanoic acid
CID 70084468
3-[(2-acetamido-3-hydroxybutanoyl)amino]-5-acetyloxy-4-oxopentanoic acid
CID 70087002
tert-butyl 5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate;naphthalene
CID 67577177
4-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-[[1-[(4-acetyloxy-1-carboxy-3-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;naphthalene
CID 70102318
4-acetamido-5-[[1-[(4-acetyloxy-1-carboxy-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 70084299
5-acetyloxy-3-[[2-methyl-3-(3-phenylpropylsulfanyl)propanoyl]amino]-4-oxopentanoic acid
CID 70086489
4-acetamido-5-[[1-[[1-carboxy-4-(2-naphthalen-1-ylacetyl)oxy-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 54385817

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene?
The IUPAC name of 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene (CID 70085689) is 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene.
What is the SMILES notation for 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene?
The canonical SMILES for 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene is CC(=O)NC(CC(=O)O)C(=O)COC(C)=O.c1ccc2ccccc2c1.
What is the InChIKey of 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene?
The InChIKey is OJFWXWSHKMPYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H13NO6/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(11)10-7(3-9(14)15)8(13)4-16-6(2)12/h1-8H;7H,3-4H2,1-2H3,(H,10,11)(H,14,15).
What are the key properties of 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene?
3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene has a molecular weight of 359.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene is sourced from PubChem (CID 70085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).