5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene

C24H28N2O7 — CID 70083721

IUPAC5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C14H20N2O7.C10H8/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20);1-8H
InChIKeyXHTOXBCWCLHRNP-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.82
Rot. Bonds8

About 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene

5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene (PubChem CID 70083721) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene.

Molecular Properties

Compound Name5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene
PubChem CID70083721
Molecular FormulaC24H28N2O7
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Name5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C14H20N2O7.C10H8/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20);1-8H
InChIKeyXHTOXBCWCLHRNP-UHFFFAOYSA-N
XLogP1.82
TPSA152.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid
CID 70083722
3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
CID 70085689
5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
CID 67578272
5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70083852
3-[2-[(2-acetamido-4-phenylbutanoyl)amino]propanoylamino]-5-acetyloxy-4-oxopentanoic acid;naphthalene
CID 70085404
5-acetyloxy-3-(methoxycarbonylamino)-4-oxopentanoic acid
CID 70084468
methyl 2-[[1-[(2-methylpropan-2-yl)oxy]-5-(2-naphthalen-1-ylacetyl)oxy-1,4-dioxopentan-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 54071052
tert-butyl 5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate;naphthalene
CID 67577177
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895
5-acetyloxy-3-[[2-methyl-3-(3-phenylpropylsulfanyl)propanoyl]amino]-4-oxopentanoic acid
CID 70086489
5-acetyloxy-4-oxo-3-[[2-(2-oxo-3-phenyl-4H-pyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 70266523
cis-(1S,2R)-2-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]cyclohexane-1,2-dicarboxamide
CID 69204860

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene?
The IUPAC name of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene (CID 70083721) is 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene.
What is the SMILES notation for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene?
The canonical SMILES for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene is CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C1CCCC1C(N)=O.c1ccc2ccccc2c1.
What is the InChIKey of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene?
The InChIKey is XHTOXBCWCLHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7.C10H8/c1-7(17)23-6-11(18)10(5-12(19)20)16-14(22)9-4-2-3-8(9)13(15)21;1-2-6-10-8-4-3-7-9(10)5-1/h8-10H,2-6H2,1H3,(H2,15,21)(H,16,22)(H,19,20);1-8H.
What are the key properties of 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene?
5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene has a molecular weight of 456.50 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-3-[(2-carbamoylcyclopentanecarbonyl)amino]-4-oxopentanoic acid;naphthalene is sourced from PubChem (CID 70083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).