methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate

C24H26N2O3 — CID 59948895

IUPACmethyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)[C@H](NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C24H26N2O3/c1-4-15(2)22(24(28)29-3)26-23(27)20-13-12-17(25)14-21(20)19-11-7-9-16-8-5-6-10-18(16)19/h5-15,22H,4,25H2,1-3H3,(H,26,27)/t15?,22-/m0/s1
InChIKeyPQXBDSTXJDDVNW-CEISFSOZSA-N
MW390.48 g/mol
LogP4.41
Rot. Bonds6

About methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate

methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate (PubChem CID 59948895) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate
PubChem CID59948895
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)[C@H](NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C24H26N2O3/c1-4-15(2)22(24(28)29-3)26-23(27)20-13-12-17(25)14-21(20)19-11-7-9-16-8-5-6-10-18(16)19/h5-15,22H,4,25H2,1-3H3,(H,26,27)/t15?,22-/m0/s1
InChIKeyPQXBDSTXJDDVNW-CEISFSOZSA-N
XLogP4.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methoxypropanoate
CID 20624071
methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methoxybutanoate
CID 20624075
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methylpentanoate
CID 59948762
methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-cyclohexylpropanoate
CID 20624069
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
methyl (2S,3S)-2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 122158474
ethyl (2S)-4-methyl-2-[(2-naphthalen-1-yl-4-nitrobenzoyl)amino]pentanoate
CID 10598947
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate (CID 59948895) is methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate is CCC(C)[C@H](NC(=O)c1ccc(N)cc1-c1cccc2ccccc12)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate?
The InChIKey is PQXBDSTXJDDVNW-CEISFSOZSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-15(2)22(24(28)29-3)26-23(27)20-13-12-17(25)14-21(20)19-11-7-9-16-8-5-6-10-18(16)19/h5-15,22H,4,25H2,1-3H3,(H,26,27)/t15?,22-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate?
methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate has a molecular weight of 390.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 59948895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).