2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid

C20H25NO4 — CID 141000785

IUPAC2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
SMILESCOC(CC(=O)NCCCCCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H25NO4/c1-25-18(20(23)24)14-19(22)21-12-6-2-3-7-15-10-11-16-8-4-5-9-17(16)13-15/h4-5,8-11,13,18H,2-3,6-7,12,14H2,1H3,(H,21,22)(H,23,24)
InChIKeyAYRJOIFRMFCOKA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.16
Rot. Bonds10

About 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid

2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid (PubChem CID 141000785) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
PubChem CID141000785
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
SMILESCOC(CC(=O)NCCCCCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C20H25NO4/c1-25-18(20(23)24)14-19(22)21-12-6-2-3-7-15-10-11-16-8-4-5-9-17(16)13-15/h4-5,8-11,13,18H,2-3,6-7,12,14H2,1H3,(H,21,22)(H,23,24)
InChIKeyAYRJOIFRMFCOKA-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
tert-butyl 4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoate
CID 141000789
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
sodium (2R,3R)-3-(2-hydroxyethoxy)-2-(5-naphthalen-2-ylpentoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoate
CID 139832542
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
10-naphthalen-2-yldecanoic acid
CID 21478009
3-(4-naphthalen-2-yloxybutoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxo-2-(2-oxopropoxy)butanoic acid
CID 67580830
2-(carboxymethoxy)-4-[4-(naphthalen-2-ylamino)butylamino]-3-(5-naphthalen-2-ylpentoxy)-4-oxobutanoic acid
CID 67582014
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
2-(carboxymethoxy)-3-[5-(furan-3-yl)pentoxy]-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 67580698

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid?
The IUPAC name of 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid (CID 141000785) is 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid?
The canonical SMILES for 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid is COC(CC(=O)NCCCCCc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid?
The InChIKey is AYRJOIFRMFCOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-25-18(20(23)24)14-19(22)21-12-6-2-3-7-15-10-11-16-8-4-5-9-17(16)13-15/h4-5,8-11,13,18H,2-3,6-7,12,14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid?
2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid is sourced from PubChem (CID 141000785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).