5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene

C21H25N3O7 — CID 67578272

IUPAC5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C(C)NC(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C11H17N3O7.C10H8/c1-5(13-11(12)20)10(19)14-7(3-9(17)18)8(16)4-21-6(2)15;1-2-6-10-8-4-3-7-9(10)5-1/h5,7H,3-4H2,1-2H3,(H,14,19)(H,17,18)(H3,12,13,20);1-8H
InChIKeyBZGBBBMPULTNMY-UHFFFAOYSA-N
MW431.45 g/mol
LogP0.97
Rot. Bonds8

About 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene

5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene (PubChem CID 67578272) has the molecular formula C21H25N3O7 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene.

Molecular Properties

Compound Name5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
PubChem CID67578272
Molecular FormulaC21H25N3O7
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene
SMILESCC(=O)OCC(=O)C(CC(=O)O)NC(=O)C(C)NC(N)=O.c1ccc2ccccc2c1
InChIInChI=1S/C11H17N3O7.C10H8/c1-5(13-11(12)20)10(19)14-7(3-9(17)18)8(16)4-21-6(2)15;1-2-6-10-8-4-3-7-9(10)5-1/h5,7H,3-4H2,1-2H3,(H,14,19)(H,17,18)(H3,12,13,20);1-8H
InChIKeyBZGBBBMPULTNMY-UHFFFAOYSA-N
XLogP0.97
TPSA164.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-5-acetyloxy-4-oxopentanoic acid;naphthalene
CID 70085689
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
4-acetamido-5-[[1-[(4-acetyloxy-1-carboxy-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 70084299
3-[(2-acetamido-3-hydroxybutanoyl)amino]-5-acetyloxy-4-oxopentanoic acid
CID 70087002
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
5-acetyloxy-3-[(2-methyl-3-methylsulfonylpropanoyl)amino]-4-oxopentanoic acid
CID 67577563
5-acetyloxy-3-(methoxycarbonylamino)-4-oxopentanoic acid
CID 70084468
3-(2-acetamidobutanoylamino)-5-(2-naphthalen-1-ylacetyl)oxy-4-oxopentanoic acid
CID 54523917
tert-butyl 5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate;naphthalene
CID 67577177

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene?
The IUPAC name of 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene (CID 67578272) is 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene.
What is the SMILES notation for 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene?
The canonical SMILES for 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene is CC(=O)OCC(=O)C(CC(=O)O)NC(=O)C(C)NC(N)=O.c1ccc2ccccc2c1.
What is the InChIKey of 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene?
The InChIKey is BZGBBBMPULTNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O7.C10H8/c1-5(13-11(12)20)10(19)14-7(3-9(17)18)8(16)4-21-6(2)15;1-2-6-10-8-4-3-7-9(10)5-1/h5,7H,3-4H2,1-2H3,(H,14,19)(H,17,18)(H3,12,13,20);1-8H.
What are the key properties of 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene?
5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene has a molecular weight of 431.45 g/mol, XLogP of 0.97, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-3-[2-(carbamoylamino)propanoylamino]-4-oxopentanoic acid;naphthalene is sourced from PubChem (CID 67578272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).