2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid

C16H18N2O4 — CID 4060966

IUPAC2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
SMILESCOc1cc(NC(=O)CCC(N)C(=O)O)cc2ccccc12
InChIInChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-15(19)7-6-13(17)16(20)21/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyDUNDTSUHZJULAX-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.98
Rot. Bonds6

About 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid

2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid (PubChem CID 4060966) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
PubChem CID4060966
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
SMILESCOc1cc(NC(=O)CCC(N)C(=O)O)cc2ccccc12
InChIInChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-15(19)7-6-13(17)16(20)21/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,19)(H,20,21)
InChIKeyDUNDTSUHZJULAX-UHFFFAOYSA-N
XLogP1.98
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
(2S)-2,6-diamino-N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 71771494
2,6-diamino-N-[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 171326285
[(2S)-1-[[2-[[2-[(4-methoxynaphthalen-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]azanium
CID 7020107
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
[4-azaniumyl-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentyl]-(diaminomethylidene)azanium
CID 176516516
[(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium
CID 86308285
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid (CID 4060966) is 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid is COc1cc(NC(=O)CCC(N)C(=O)O)cc2ccccc12.
What is the InChIKey of 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is DUNDTSUHZJULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-15(19)7-6-13(17)16(20)21/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid?
2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 4060966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).